Exact Mass: 315.1861138
Exact Mass Matches: 315.1861138
Found 500 metabolites which its exact mass value is equals to given mass value 315.1861138,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Oxycodone
Oxycodone is only found in individuals that have used or taken this drug. It is a semisynthetic derivative of codeine that acts as a narcotic analgesic more potent and addicting than codeine. [PubChem]Oxycodone acts as a weak agonist at mu, kappa, and delta opioid receptors within the central nervous system (CNS). Oxycodone primarily affects mu-type opioid receptors, which are coupled with G-protein receptors and function as modulators, both positive and negative, of synaptic transmission via G-proteins that activate effector proteins. Binding of the opiate stimulates the exchange of GTP for GDP on the G-protein complex. As the effector system is adenylate cyclase and cAMP located at the inner surface of the plasma membrane, opioids decrease intracellular cAMP by inhibiting adenylate cyclase. Subsequently, the release of nociceptive neurotransmitters such as substance P, GABA, dopamine, acetylcholine, and noradrenaline is inhibited. Opioids such as oxycodone also inhibit the release of vasopressin, somatostatin, insulin, and glucagon. Opioids close N-type voltage-operated calcium channels (kappa-receptor agonist) and open calcium-dependent inwardly rectifying potassium channels (mu and delta receptor agonist). This results in hyperpolarization and reduced neuronal excitability. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AA - Natural opium alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
(S)-3-Hydroxy-N-methylcoclaurine
(S)-3-Hydroxy-N-methylcoclaurine is an intermediate in the biosynthesis of alkaloids (KEGG ID C05202). It is the 10th to last step in the synthesis of morphine and is converted from (s)-N-methylcoclaurine via the enzyme tyrosinase [EC:1.14.18.1]. It is then converted to (S)-reticuline. [HMDB] (S)-3-Hydroxy-N-methylcoclaurine is an intermediate in the biosynthesis of alkaloids (KEGG ID C05202). It is the 10th to last step in the synthesis of morphine and is converted from (s)-N-methylcoclaurine via the enzyme tyrosinase [EC:1.14.18.1]. It is then converted to (S)-reticuline.
Nororientaline
An isoquinoline alkaloid consisting of a tetrahydroisoquinoline core with 4-hydroxy-3-methoxybenzyl, methoxy and hydroxy substituents at positions 1, 6 and 7 respectively; major species at pH 7.3.
Belladine
C19H25NO3 (315.18343400000003)
A phenethylamine alkaloid that is N-methyl-4-methoxyphenylethylamine carrying an additional N-(3,4-dimethoxybenzyl) substituent.
Cephalotaxine
Cephalotaxlen ((-)-Cephalotaxine) is an alkaloid that can be isolated from Cephalotaxus fortunei, with antileukemic and antiviral activities. Cephalotaxlen has anti-ZIKV (Zika virus) activity[1][2][3]. Cephalotaxlen ((-)-Cephalotaxine) is an alkaloid that can be isolated from Cephalotaxus fortunei, with antileukemic and antiviral activities. Cephalotaxlen has anti-ZIKV (Zika virus) activity[1][2][3].
Bremazocine
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
Alizapride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
Codeine N-oxide
Codeine N-oxide is found in opium poppy. Codeine N-oxide is an alkaloid from Papaver somniferum (opium poppy). Alkaloid from Papaver somniferum (opium poppy). Codeine N-oxide is found in opium poppy.
(E)-Piperolein A
C19H25NO3 (315.18343400000003)
(e)-piperolein a is a member of the class of compounds known as benzodioxoles. Benzodioxoles are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms (e)-piperolein a is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (e)-piperolein a can be found in herbs and spices, which makes (e)-piperolein a a potential biomarker for the consumption of this food product. (E)-Piperolein A is found in herbs and spices. (E)-Piperolein A is a minor constituent of Piper nigrum (pepper
(±)-Pandamarine
(±)-Pandamarine is a major alkaloid from leaves of Pandanus amaryllifolius. Major alkaloid from leaves of Pandanus amaryllifolius
N-Dihydroferuloyltyramine
N-Dihydroferuloyltyramine is found in fruits. N-Dihydroferuloyltyramine is an alkaloid from stems of cherimoya (Annona cherimola). Alkaloid from stems of cherimoya (Annona cherimola). N-Dihydroferuloyltyramine is found in fruits.
Erythratine
Erythratine is found in green vegetables. Erythratine is an alkaloid from the seeds of Erythrina glauca (gallito
Val-Val-Val
Val-val-val is classified as a member of the oligopeptides. Oligopeptides are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Val-val-val is considered to be a slightly soluble (in water) and a weak acidic compound. Val-val-val can be found in feces.
Mitiglinide
C19H25NO3 (315.18343400000003)
Mitiglinide is only found in individuals that have used or taken this drug. It is a drug for the treatment of type 2 diabetes.Mitiglinide is thought to stimulate insulin secretion by binding to and blocking ATP-sensitive K(+) (K(ATP)) channels (Kir6.2/SUR1 complex, KATP channels) in pancreatic beta-cells. Closure of potassium channels causes depolarization which stimulates calcium influx through voltage-gated calcium channels. High intracellular calcium subsequently triggers the exocytosis of insulin granules.
Alizapride
Alizapride is only found in individuals that have used or taken this drug. It is a dopamine antagonist with prokinetic and antiemetic effects used in the treatment of nausea and vomiting, including postoperative nausea and vomiting.The anti-emetic action of Alizapride is due to its antagonist activity at D2 receptors in the chemoreceptor trigger zone (CTZ) in the central nervous system (CNS)—this action prevents nausea and vomiting triggered by most stimuli. Structurally similar to metoclopramide and, therefore, shares similar other atributres related to emesis and prokinetics. D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
Rotigotine
Rotigotine (Neupro) is a non-ergoline dopamine agonist indicated for the treatment of Parkinsons disease (PD) and restless legs syndrome (RLS) in Europe and the United States. It is formulated as a once-daily transdermal patch which provides a slow and constant supply of the drug over the course of 24 hours. Like other dopamine agonists, rotigotine has been shown to possess antidepressant effects and may be useful in the treatment of depression as well. Rotigotine was developed by Aderis Pharmaceuticals. In 1998, Aderis licensed worldwide development and commercialization rights for rotigotine to the German pharmaceutical company Schwarz Pharma (today a subsidiary of the Belgian company UCB S.A.). The drug has been approved by the EMEA for use in Europe in 2006 and is today being sold in several European countries. In 2007, the Neupro patch was approved by the Food and Drug Administration (FDA) as the first transdermal treatment of Parkinsons disease in the United States. However, as of 2008, Schwarz Pharma has recalled all Neupro patches in the United States and some in Europe because of problems with the delivery mechanism. Rotigotine has been authorized as a treatment for RLS since August 2008. D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
Saxagliptin
Saxagliptin (rINN), previously identified as BMS-477118, is a new oral hypoglycemic (anti-diabetic drug) of the new dipeptidyl peptidase-4 (DPP-4) inhibitor class of drugs. It was developed by Bristol-Myers Squibb. A New Drug Application for saxagliptin in the treatment of type 2 diabetes was submitted to the FDA in June 2008. It was based on a drug development program with 8 randomized trials: 1 phase 2 dose-ranging (2.5 - 100 mg/d) study; 6 phase 3, 24-week controlled trials with additional controlled follow-up from 12 to 42 months, double-blinded throughout; and one 12-week mechanism-of-action trial with a 2-year follow-up period. In June 2008, it was announced that Onglyza would be the trade name under which saxagliptin will be marketed. A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BH - Dipeptidyl peptidase 4 (dpp-4) inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98086 - Dipeptidyl Peptidase-4 Inhibitor D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D054795 - Incretins D007004 - Hypoglycemic Agents > D054873 - Dipeptidyl-Peptidase IV Inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
(6Z)-Oct-6-enedioylcarnitine
(6Z)-oct-6-enedioylcarnitine is an acylcarnitine. More specifically, it is an (6Z)-oct-6-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (6Z)-oct-6-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (6Z)-oct-6-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Oct-4-enedioylcarnitine
oct-4-enedioylcarnitine is an acylcarnitine. More specifically, it is an oct-4-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. oct-4-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine oct-4-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Oct-5-enedioylcarnitine
oct-5-enedioylcarnitine is an acylcarnitine. More specifically, it is an oct-5-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. oct-5-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine oct-5-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(2E)-Oct-2-enedioylcarnitine
(2E)-oct-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an (2E)-oct-2-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2E)-oct-2-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E)-oct-2-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(2Z)-6-Hydroxynon-2-enoylcarnitine
(2Z)-6-hydroxynon-2-enoylcarnitine is an acylcarnitine. More specifically, it is an (2Z)-6-hydroxynon-2-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2Z)-6-hydroxynon-2-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2Z)-6-hydroxynon-2-enoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
6-Hydroxynon-7-enoylcarnitine
6-hydroxynon-7-enoylcarnitine is an acylcarnitine. More specifically, it is an 6-hydroxynon-7-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 6-hydroxynon-7-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-hydroxynon-7-enoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
6-Hydroxynon-3-enoylcarnitine
6-hydroxynon-3-enoylcarnitine is an acylcarnitine. More specifically, it is an 6-hydroxynon-3-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 6-hydroxynon-3-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-hydroxynon-3-enoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
6-Hydroxynon-4-enoylcarnitine
6-hydroxynon-4-enoylcarnitine is an acylcarnitine. More specifically, it is an 6-hydroxynon-4-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 6-hydroxynon-4-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-hydroxynon-4-enoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
6-Hydroxynon-5-enoylcarnitine
6-hydroxynon-5-enoylcarnitine is an acylcarnitine. More specifically, it is an 6-hydroxynon-5-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 6-hydroxynon-5-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-hydroxynon-5-enoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
6-Hydroxynon-6-enoylcarnitine
6-hydroxynon-6-enoylcarnitine is an acylcarnitine. More specifically, it is an 6-hydroxynon-6-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 6-hydroxynon-6-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-hydroxynon-6-enoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
7-Oxononanoylcarnitine
7-Oxononanoylcarnitine is an acylcarnitine. More specifically, it is an 7-oxononanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 7-Oxononanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 7-Oxononanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
5-Oxononanoylcarnitine
5-Oxononanoylcarnitine is an acylcarnitine. More specifically, it is an 5-oxononanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 5-Oxononanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-Oxononanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
8-Oxononanoylcarnitine
8-Oxononanoylcarnitine is an acylcarnitine. More specifically, it is an 8-oxononanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 8-Oxononanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 8-Oxononanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
3-Oxononanoylcarnitine
3-Oxononanoylcarnitine is an acylcarnitine. More specifically, it is an 3-oxononanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-Oxononanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-Oxononanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
6-Oxononanoylcarnitine
6-Oxononanoylcarnitine is an acylcarnitine. More specifically, it is an 6-oxononanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 6-Oxononanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-Oxononanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
4-Oxononanoylcarnitine
4-Oxononanoylcarnitine is an acylcarnitine. More specifically, it is an 4-oxononanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 4-Oxononanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 4-Oxononanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
9-Oxononanoylcarnitine
9-Oxononanoylcarnitine is an acylcarnitine. More specifically, it is an 9-oxononanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 9-Oxononanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 9-Oxononanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
N-Lauroyl Aspartic acid
N-lauroyl aspartic acid, also known as N-lauroyl aspartate belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is a Lauric acid amide of Aspartic acid. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Lauroyl Aspartic acid is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Lauroyl Aspartic acid is therefore classified as a long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
(-)-Bremazocine
(2R,3R,6S)-4-Methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-ol
Fendiline
C - Cardiovascular system > C08 - Calcium channel blockers > C08E - Non-selective calcium channel blockers > C08EA - Phenylalkylamine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
Indicine-N-oxide
(R)-N1-((S)-3,3-Dimethyl-1-(methylamino)-1-oxobutan-2-yl)-N4-hydroxy-2-isobutylsuccinamide
gibberellin A12-aldehyde
Gibberellin a12-aldehyde is a member of the class of compounds known as c20-gibberellins. C20-gibberellins are gibberellins with carboxy groups in positions 7 and 18 and some also in 20, while others have an aldehyde group in the latter position. Gibberellin a12-aldehyde is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a12-aldehyde can be found in a number of food items such as custard apple, yellow bell pepper, giant butterbur, and java plum, which makes gibberellin a12-aldehyde a potential biomarker for the consumption of these food products.
Synribo
Cephalotaxine is a benzazepine alkaloid isolated from Cephalotaxus harringtonia. It is a benzazepine alkaloid, a benzazepine alkaloid fundamental parent, an organic heteropentacyclic compound, an enol ether, a cyclic acetal, a secondary alcohol and a tertiary amino compound. Omacetaxine is a semisynthetic cephataxine that acts as a protein translation inhibitor and is used to treated chronic myeloid leukemia that is resistant to tyrosine kinase receptor antagonists. Omacetaxine is associated with a low rate of serum enzyme elevation during therapy, but has not been linked to cases of clinically apparent liver injury with jaundice. Cephalotaxine is a natural product found in Cephalotaxus hainanensis, Cephalotaxus harringtonia, and other organisms with data available. Omacetaxine is a protein translation inhibitor and cytotoxic plant alkaloid homoharringtonine isolated from the evergreen tree Cephalotaxus, with potential antineoplastic activity. Although the exact mechanism of action has not been fully elucidated, upon administration, omacetaxine targets and binds to the 80S ribosome in eukaryotic cells and inhibits protein synthesis by interfering with chain elongation. This reduces levels of certain oncoproteins and anti-apoptotic proteins. Semisynthetic derivative of harringtonine that acts as a protein synthesis inhibitor and induces APOPTOSIS in tumor cells. It is used in the treatment of MYELOID LEUKEMIA, CHRONIC. See also: Omacetaxine Mepesuccinate (active moiety of). D000970 - Antineoplastic Agents > D000972 - Antineoplastic Agents, Phytogenic > D006248 - Harringtonines C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product A benzazepine alkaloid isolated from Cephalotaxus harringtonia. C1907 - Drug, Natural Product Cephalotaxlen ((-)-Cephalotaxine) is an alkaloid that can be isolated from Cephalotaxus fortunei, with antileukemic and antiviral activities. Cephalotaxlen has anti-ZIKV (Zika virus) activity[1][2][3]. Cephalotaxlen ((-)-Cephalotaxine) is an alkaloid that can be isolated from Cephalotaxus fortunei, with antileukemic and antiviral activities. Cephalotaxlen has anti-ZIKV (Zika virus) activity[1][2][3].
(E)-(4-Hydroxycinnamoyl)-epilupinine
C19H25NO3 (315.18343400000003)
(S)-3-Hydroxy-N-methylcoclaurine
An isoquinoline alkaloid having a tetrahydroisoquinoline core with 3,4-dihydroxybenzyl, methoxy and hydroxy groups at the 1-, 6- and 7-positions respectively; major species at pH 7.3.
(Z)-(4-Hydroxycinnamoyl)-epilupinine
C19H25NO3 (315.18343400000003)
1-(3,4-Dimethoxyphenyl)-N-((2-methoxyphenyl)methyl)propan-2-amine
C19H25NO3 (315.18343400000003)
5-[(E)-3-hydroxybut-1-enyl]-4-[4-[(E)-3-oxobut-1-enyl]anilino]oxolan-2-one
17-demethylsinomenine|N-demethyl-sinomenine|N-demethylsinomenine
4-(3-methoxy-4-hydroxyphenyl)-4-<2-(acetylmethylamino)ethyl>cyclohexadienone
(7Z,10S,12Z,13aS)-7,13-epoxy-2,3,9,10,11,13a-hexahydro-5,6-dimethoxy-1H-cyclodec[ij]isoquinolin-10-ol|stephalonganine A
(-)-(trans-4-Hydroxycinnamoyl)lupinine
C19H25NO3 (315.18343400000003)
4-[2-(Acetylmethylamino)ethyl]-4-(4-hydroxy-3-methoxyphenyl)-2,4-cyclohexadien-1-one
trans-3-isobutyl-4-[4-(3-methyl-3-butenyloxy)phenyl]pyrrolidine-2,5-dione
C19H25NO3 (315.18343400000003)
1-Methoxy-2-hydroxy-schelhammericine
C19H25NO3 (315.18343400000003)
2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester|leptanthine
(R)-3-(2-hydroxy-3-methoxy-3-methylbutyl)-5-(3-methyl-1-oxo-2-butenyl)indole
C19H25NO3 (315.18343400000003)
Morphinan-6,14-diol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.,6.alpha.)-
1-[(2E)-1-oxo-7-(3,4-methylenedioxy)phenylheptenyl]piperidine|piperine S
C19H25NO3 (315.18343400000003)
inakt.Leucyl-glycyl-leucin-methylester|Leucyl=>glycyl=>leucin-methylester|leucyl=>glycyl=>leucine methyl ester
4-methoxy-1-methyl-3-(2S-acetoxy-3-ene-butyl)-2-quinolone
16-hydroxy-3beta,15-dimethoxy-erythrin-1(6)-en-2-one|Erysotinon|erysotinone
fendiline
C - Cardiovascular system > C08 - Calcium channel blockers > C08E - Non-selective calcium channel blockers > C08EA - Phenylalkylamine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
NCI60_000712
Indicine N-oxide is a natural product found in Tournefortia argentea with data available. Indicine-N-Oxide is a natural pyrrolizidine alkaloid with antineoplastic properties. Indicine-N-oxide alkylates and crosslinks DNA. (NCI04)
Rinderine N-oxide
Echinatine oxide
Lycopsamine N-oxide
Lycopsamine N-oxide is a natural product found in Symphytum officinale, Neatostema apulum, and Idea leuconoe with data available.
oxycodone
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AA - Natural opium alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; INTERNAL_ID 1602 IPB_RECORD: 1423; CONFIDENCE confident structure
Safranin
Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2561; CONFIDENCE confident structure
Safranine
Acquisition and generation of the data is financially supported in part by CREST/JST.
2,3-Dimethoxy-15-methyl-4b,5,6,9,8a,10-hexahydro-16-oxa-8a-aza-cyclopenta[a]phenanthren-17-one
(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide
Codeine N-Oxide
C17H21N3O3_10b-Hydroxy-3-isobutyl-6,10b,11,11a-tetrahydro-2H-pyrazino[1,2:1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione
(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide
(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide [IIN-based on: CCMSLIB00000846683]
(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide [IIN-based: Match]
Mitiglinide
C19H25NO3 (315.18343400000003)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98079 - Meglitinide Antidiabetic Agent A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins D007004 - Hypoglycemic Agents
Rotigotine
N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BC - Dopamine agonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist Rotigotine is a potent dopamine receptor agonist with Ki values of 0.71?nM, 4-15?nM, and 83?nM for the dopamine D3 receptor and D2, D5, D4 receptors and dopamine D1 receptor. Rotigotine a partial agonist of the 5-HT1A receptor, and an antagonist of the α2B-adrenergic receptor. Rotigotine can be used for parkinson's disease (PD) research[1][2][3][4].
saxagliptin
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BH - Dipeptidyl peptidase 4 (dpp-4) inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98086 - Dipeptidyl Peptidase-4 Inhibitor D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D054795 - Incretins D007004 - Hypoglycemic Agents > D054873 - Dipeptidyl-Peptidase IV Inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
Erythratine
(E)-Piperolein A
C19H25NO3 (315.18343400000003)
Codeigene
(±)-Pandamarine
(2E,4E)-N-[2-(4-Hydroxyphenyl)ethyl]-2,4-dodecadienamide
1-BENZYL-2-(2-(1-METHYL-1H-PYRROL-2-YL)ETHYL)-1H-BENZO[D]IMIDAZOLE
2-ethylhexyl dihydrogen phosphate,2-(2-hydroxyethylamino)ethanol
C12H30NO6P (315.18106500000005)
Dopamantine
C19H25NO3 (315.18343400000003)
C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
N-BOC-AMINO-(1,4-DIOXA-SPIRO[4.5]DEC-8-YL)-ACETICACID
DIETHYL 2-(1-(TERT-BUTOXYCARBONYL)AZETIDIN-3-YL)MALONATE
diphenyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
6-[propyl(2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
1-(Pyrrolidin-1-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
tert-butyl 3-(quinoxalin-2-yloxy)pyrrolidine-1-carboxylate
dibutyl hydrogen phosphate, compound with 2,2-iminodiethanol (1:1)
C12H30NO6P (315.18106500000005)
Methanone, (3,5-dimethyl-4-isoxazolyl)[4-(3-methoxyphenyl)-1-piperazinyl]-
TERT-BUTYL 3-OXO-2-PHENYL-2,3,4,5-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-6(7H)-CARBOXYLATE
4-(Piperidine-1-carbonyl)phenylboronic acid pinacol ester
TERT-BUTYL 5-(4-METHYLPIPERAZIN-1-YL)-1H-INDOLE-1-CARBOXYLATE
Moxisylyte hydrochloride
C16H26ClNO3 (315.16011160000005)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Moxisylyte (hydrochloride) is (alpha 1-blocker) antagonist, it can vasodilates cerebral vessels without reducing blood pressure. It is also used locally in the eye to reverse the mydriasis caused by phenylephrine and other sympathomimetic agents. [1][2]
Morphinan-6,10-diol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5a,6a)-
(R)-3-Cyclopentyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanenitrile
Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate
C17H22BNO4 (315.16418020000003)
(S)-3-((tert-butoxycarbonyl)amino)-3-(naphthalen-2-yl)propanoic acid
2-((tert-butoxycarbonyl)amino)-3-(naphthalen-1-yl)propanoic acid
DIETHYL 1,5-DIMETHYL-3-PHENYL-1H-PYRROLE-2,4-DICARBOXYLATE
(4R,4aS,7S,7aR,12bS)-9-methoxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol
6-chloro-N-cyclopentyl-5-(4-ethylphenyl)-2-methylpyrimidin-4-amine
C18H22ClN3 (315.15021620000005)
(2E)-2-(1,3-BENZOTHIAZOL-2-YL)-3-[4-(DIMETHYLAMINO)PHENYL]ACRYLONITRILE
(1R,3R,5R)-2-[(2R)-2-Amino-2-(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
8-CHLORO-6,11-DIHYDRO-11-(4-PIPERIDINYLIDENE)-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE-D5
2-(3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)propyl)isoindoline-1,3-dione
C17H22BNO4 (315.16418020000003)
5-Amino-1-Boc-3,4,5,6-tetrahydro-2H-[2,4]bipyridinyl hydrochloride
Tert-Butyl 5-Methyl-3-Oxo-2,3-Dihydrospiro[Indene-1,4-Piperidine]-1-Carboxylate
C19H25NO3 (315.18343400000003)
3-(2-phenyl-2-Cyclopentyl-2-hydroxyethoxy)quinuclidine
1-(1-Ethoxycarbonyl-4-piperidinyl)-4-phenyl-4-imidazolin-2-one
TERT-BUTYL 4-OXO-3,4-DIHYDRO-2H-SPIRO[NAPHTHALENE-1,4-PIPERIDINE]-1-CARBOXYLATE
C19H25NO3 (315.18343400000003)
benzyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
3-(Piperidine-1-carbonyl)phenylboronic acid, pinacol ester
4H-Cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1-ol, 1,5,6,8,9,14b-hexahydro-2-methoxy-
2-[[2-[(2-Amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
Leu-Leu-Ala
A tripeptide composed of two L-leucine units joined to L-alanine by a peptide linkage.
Talibegron
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoic acid
4,4-[(4-Iminocyclohexa-2,5-dien-1-ylidene)methylene]bis(2-methylaniline)
Percodan
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
2-Butoxy-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide
(R)-N1-((S)-3,3-Dimethyl-1-(methylamino)-1-oxobutan-2-yl)-N4-hydroxy-2-isobutylsuccinamide
15-deoxy-Delta(12,14)-prostaglandin J2(1-)
C20H27O3- (315.19600920000005)
A prostaglandin carboxylic acid anion that is the conjugate base of 15-deoxy-Delta(12,14)-prostaglandin J2. obtained by deprotonation of the carboxy group; major species at pH 7.3. D007155 - Immunologic Factors
(1R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
(3aS,6R,7aS)-6-ethyl-N-[(2S)-2-ethyl-1-prop-1-en-2-ylcyclopropyl]-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carboxamide
(4aR,4bR,7R,9aR,10S,10aR)-1-methyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylate
Aculene A
C19H25NO3 (315.18343400000003)
A carboxylic ester resulting from the formal condensation of the hydroxy group of aculene C with the carboxylic acid group of L-proline. It is a sesquiterpenoid isolated from the fungus Aspergillus aculeatus.
N9-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine
N-(2-ethoxyphenyl)-2-(4-methoxyphenoxy)propanamide
2-oxo-1,4-dihydroquinazoline-3-carboxylic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
N-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide
(12S)-4,5-Dimethoxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6,11(15)-tetraen-14-one
Pyranonigrin E
A member of the class of pyranopyrroles with formula C18H21NO4, originally isolated from Aspergillus niger.
6-Amino-2-methyl-8-phenyl-1,6,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
4-Methyl-6-[2-(4-methyl-1-piperidinyl)-2-oxoethoxy]-1-benzopyran-2-one
1,3-Dimethyl-5-[1-(1-phenylethylamino)propylidene]-1,3-diazinane-2,4,6-trione
N-(4-fluorophenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
all-trans-4-Hydroxyretinoate
C20H27O3- (315.19600920000005)
A hydroxy monocarboxylic acid anion that is the conjugate base of all-trans-4-hydroxyretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
N-(3,7-dimethyl-2,6-octadien-1-ylidene)-4-nitrobenzohydrazide
N-cycloheptyl-3-(5,7-dioxo-6-pyrrolo[3,4-b]pyridinyl)propanamide
all-trans-18-Hydroxyretinoate
C20H27O3- (315.19600920000005)
A retinoid anion that is the conjugate base of all-trans-18-hydroxyretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(1R,5S)-6-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-6-azabicyclo[3.2.1]octane
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)nona-2,4,6,8-tetraenoate
C20H27O3- (315.19600920000005)
(5-Methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
[(E)-1-[5-(3-methylbutoxymethyl)-2-oxooxolan-3-yl]propan-2-ylideneamino]thiourea
(1-Methyl-3-imidazo[1,2-a]pyridin-4-iumyl)-diphenylmethanol
(2E)-7-carboxyhept-2-enoylcarnitine
An O-acylcarnitine having (2E)-7-carboxyhept-2-enoyl as the acyl substituent.
(2E)-10-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]dec-2-enoate
(E,9R)-9-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxydec-2-enoate
4-Oxo-all-trans-13,14-dihydroretinoate
C20H27O3- (315.19600920000005)
(1S)-1-(3-Hydroxy-4-methoxybenzyl)-2-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline
Saxagliptin (BMS-477118,Onglyza)
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BH - Dipeptidyl peptidase 4 (dpp-4) inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D054795 - Incretins D007004 - Hypoglycemic Agents > D054873 - Dipeptidyl-Peptidase IV Inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
2-Ethoxy-N-(2-(diethylamino)ethyl)-4-quinolinecarboxamide
2-Butoxy-N-(2-(ethylamino)ethyl)-4-quinolinecarboxamide
2-Ethoxycarbonyl-3-ethyl-4-methyl-5-benzyloxycarbonyl-pyrrole
2,4-Diisopropyl-4,4A-dihydro-1H-(1,3,5)triazino(1,2-A)quinoline-1,3,6(2H,5H)-trione
(+)-pisiferate
A monocarboxylic acid anion that is the conjugate base of (+)-pisiferic acid, arising from the deprotonation of the carboxy group. Major species at pH 7.3.
(±)-Rotigotine
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
(S)-all-trans-4-hydroxyretinoate
An all-trans-4-hydroxyretinoate that is the conjugate base of (S)-all-trans-4-hydroxyretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
oscr#15(1-)
A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#15, obtained by deprotonation of the carboxy group; major species at pH 7.3.
O-octenedioylcarnitine
An O-acylcarnitine obtained by formal condensation of one of the carboxy groups of any octenedioic acid with the hydroxy group of carnitine.
gibberellin A9(1-)
A gibberellin carboxylic acid anion that is the conjugate base of gibberellin A9, obtained by deprotonation of the carboxy group; major species at pH 7.3.
5,6-epoxyretinoate
A monocarboxylic acid anion that is the conjugate base of 5,6-epoxyretinoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
A-804598
A-804598 is a CNS penetrant, competitive and selective P2X7 receptor antagonist with IC50s of 9 nM, 10 nM and 11 nM for mouse, rat and human P2X7 receptors, respectively[1].
NG-497
NG-497 is a selective human adipose triglyceride lipase (ATGL) inhibitor that targets the enzymatically active patatin-like domain of human ATGL. NG-497 has potential value for tumor research[1].
7,8-dimethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinoline-5,11-diol
(1s,15r,16s)-5-hydroxy-4-methoxy-9-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2(7),3,5,12-tetraen-15-yl acetate
1-{14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-4-yl}ethanone
(2s,3s,10r,12s)-12-methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),7,13,15(19)-tetraene
15,18-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraene
3,17,17-trimethyl-7-methylidene-15-azatricyclo[8.5.2.0¹³,¹⁶]heptadeca-3,13(16),14-triene-5,14-diol
(1s,13s,15r)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraene
1-[3-(2-hydroxy-3-methoxy-3-methylbutyl)-1h-indol-5-yl]-3-methylbut-2-en-1-one
C19H25NO3 (315.18343400000003)
(1s,4's,6r)-6-hydroxy-10',11'-dimethoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one
12-methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),7,13,15(19)-tetraene
(1s,14r,17r)-5,17-dimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,15-tetraen-4-ol
C19H25NO3 (315.18343400000003)
(1s,18r,19r)-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-18-ol
(9bs,11r)-7-hydroxy-8,11-dimethoxy-1h,2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-12-one
n-{2-[1-(4-hydroxy-3-methoxyphenyl)-4-oxocyclohexa-2,5-dien-1-yl]ethyl}-n-methylacetamide
(10s,13s)-10-[(2s)-butan-2-yl]-13-(hydroxymethyl)-9-methyl-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1,4,6,8(15),11-pentaen-11-ol
(1r,7ar)-1-hydroxy-7-({[(2r)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-4-ium-4-olate
(1s,13r,16s,18s)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraene
octahydro-1h-quinolizin-1-ylmethyl 3-(4-hydroxyphenyl)prop-2-enoate
C19H25NO3 (315.18343400000003)
15,16-dimethoxy-18-oxa-10-azatetracyclo[7.7.1.1²,⁸.0¹³,¹⁷]octadeca-1(16),2,7,13(17),14-pentaen-5-ol
7-(2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hept-2-en-1-one
C19H25NO3 (315.18343400000003)
2-[(5s,7s,7as)-5-(acetyloxy)-1-methyl-2,3,5,6,7,7a-hexahydroindol-7-yl]benzoic acid
(2s,3r,6r)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-ol
9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraene
3-o-acetylsanguinine
{"Ingredient_id": "HBIN009043","Ingredient_name": "3-o-acetylsanguinine","Alias": "NA","Ingredient_formula": "C18H21NO4","Ingredient_Smile": "CC(=O)OC1CC2C3(CCN(CC4=C3C(=C(C=C4)O)O2)C)C=C1","Ingredient_weight": "315.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "506","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11197829","DrugBank_id": "NA"}
amuroline
C19H25NO3 (315.18343400000003)
{"Ingredient_id": "HBIN015930","Ingredient_name": "amuroline","Alias": "NA","Ingredient_formula": "C19H25NO3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1100","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,17r)-4,17-dimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraen-5-ol
C19H25NO3 (315.18343400000003)
5-[3-(4-hydroxy-4-methylpent-2-en-1-yl)-3-methyloxiran-2-yl]-3-methyl-1-(1h-pyrrol-2-yl)penta-2,4-dien-1-one
C19H25NO3 (315.18343400000003)
5,17-dimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraen-4-ol
C19H25NO3 (315.18343400000003)
7-hydroxy-8,11-dimethoxy-1h,2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-12-one
1-[(14s)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-4-yl]ethanone
(8r)-4,8-dimethoxy-8-(3-methylbut-2-en-1-yl)-5h,6h-furo[2,3-b]quinolin-7-one
5,7-dioxa-14-azapentacyclo[12.7.0.0¹,¹⁷.0²,¹⁰.0⁴,⁸]henicosa-2,4(8),9,17-tetraene-19,20-diol
1-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
(1s,7ar)-1-hydroxy-7-({[(2s)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-4-ium-4-olate
n-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenecarboximidic acid
(2r,3s,6r)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-ol
13-(hydroxymethyl)-9-methyl-10-(sec-butyl)-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1,4,6,8(15),11-pentaen-11-ol
(5s,9bs,11r)-8,11-dimethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinoline-5,7-diol
(2r,3r,6r)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-ol
(2e,4z)-5-(6-methoxy-2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one
(1r,2s,4'r)-10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),3,8'(12'),9'-tetraen-2-ol
C19H25NO3 (315.18343400000003)
(5r,9bs,11r)-8,11-dimethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinoline-5,7-diol
5-(3,7-dimethylocta-2,6-dien-1-yl)-6-methoxy-3h-isoindole-1,4-diol
C19H25NO3 (315.18343400000003)
5,7,18-trioxa-14-azahexacyclo[12.8.0.0¹,¹⁷.0²,¹⁰.0⁴,⁸.0¹⁷,¹⁹]docosa-2,4(8),9-trien-21-ol
10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-ol
C19H25NO3 (315.18343400000003)
(1s,12s,14r)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl acetate
4,5-dimethoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraen-8-one
5-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-6-methoxy-3h-isoindole-1,4-diol
C19H25NO3 (315.18343400000003)
4-methoxy-3-methyl-5-[(4e)-3-methyl-5-oxa-10-azatricyclo[8.3.0.0²,⁶]trideca-1(13),11-dien-4-ylidene]furan-2-one
3-hydroxy-6-methyl-7-methylidene-2-[(1e,3e)-nona-1,3-dien-1-yl]pyrano[2,3-c]pyrrole-4,5-dione
(8s)-4,8-dimethoxy-8-[(2r)-3-methylbutan-2-yl]furo[2,3-b]quinolin-7-one
(5r,8r)-15,16-dimethoxy-18-oxa-10-azatetracyclo[7.7.1.1²,⁸.0¹³,¹⁷]octadeca-1(16),2,9,13(17),14-pentaen-5-ol
(1r,10s,12s)-5-hydroxy-4-methoxy-9-azatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5,13-tetraen-12-yl acetate
(3ar,4s)-1-ethyl-3a,6-dimethyl-3-oxo-4,5-dihydroazulen-4-yl (2s)-pyrrolidine-2-carboxylate
C19H25NO3 (315.18343400000003)
9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl acetate
(1s,4r,4's)-10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-ol
C19H25NO3 (315.18343400000003)
5-hydroxy-3-{4-[(3-methylbut-3-en-1-yl)oxy]phenyl}-4-(2-methylpropyl)-3,4-dihydropyrrol-2-one
C19H25NO3 (315.18343400000003)
(1r,7as)-1-({[2-hydroxy-2-(1-hydroxyethyl)-3-methylpentanoyl]oxy}methyl)-hexahydro-1h-pyrrolizin-4-ium-4-olate
4,17-dimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraen-5-ol
C19H25NO3 (315.18343400000003)
(1s,9ar)-octahydro-1h-quinolizin-1-ylmethyl (2z)-3-(4-hydroxyphenyl)prop-2-enoate
C19H25NO3 (315.18343400000003)
(1r)-1-(3-carbamimidamidopropyl)-2h,3h,4h,9h-pyrido[3,4-b]indole-1-carboxylic acid
1-{3-[(2r)-2-hydroxy-3-methoxy-3-methylbutyl]-1h-indol-5-yl}-3-methylbut-2-en-1-one
C19H25NO3 (315.18343400000003)
(1r,9ar)-octahydro-1h-quinolizin-1-ylmethyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
C19H25NO3 (315.18343400000003)
3-hydroxy-4-methoxy-9-methyl-9-azapentacyclo[8.8.0.0¹,⁶.0²,¹³.0¹³,¹⁸]octadeca-5,14-dien-16-one
C19H25NO3 (315.18343400000003)
(1s,14r,17r)-4,17-dimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,15-tetraen-5-ol
C19H25NO3 (315.18343400000003)
1-ethyl-3a,6-dimethyl-3-oxo-4,5-dihydroazulen-4-yl pyrrolidine-2-carboxylate
C19H25NO3 (315.18343400000003)
(1s,9as)-octahydro-1h-quinolizin-1-ylmethyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
C19H25NO3 (315.18343400000003)
4,17-dimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,15-tetraen-5-ol
C19H25NO3 (315.18343400000003)
7-(2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one
C19H25NO3 (315.18343400000003)
5,17-dimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,15-tetraen-4-ol
C19H25NO3 (315.18343400000003)
(1r,7ar)-1-hydroxy-7-({[(2s)-2-hydroxy-2-[(1r)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-4-ium-4-olate
10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),3,8'(12'),9'-tetraen-2-ol
C19H25NO3 (315.18343400000003)
(1s)-1-(3-carbamimidamidopropyl)-2h,3h,4h,9h-pyrido[3,4-b]indole-1-carboxylic acid
(2e,4e)-n-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienimidic acid
[(7r,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2r)-2,3-dihydroxy-2-[(1r)-1-hydroxyethyl]-3-methylbutanoate
(1r,3e,5s,10r)-3,17,17-trimethyl-7-methylidene-15-azatricyclo[8.5.2.0¹³,¹⁶]heptadeca-3,13(16),14-triene-5,14-diol
n-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienimidic acid
(1s,4s,4'r)-10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-ol
C19H25NO3 (315.18343400000003)
(1s,17s)-5,17-dimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraen-4-ol
C19H25NO3 (315.18343400000003)
(2e)-7-(2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hept-2-en-1-one
C19H25NO3 (315.18343400000003)
(1s,9ar)-octahydro-1h-quinolizin-1-ylmethyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
C19H25NO3 (315.18343400000003)
(1s,7ar)-1-hydroxy-7-({[(2s)-2-hydroxy-2-[(1r)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-4-ium-4-olate
(2z,4e)-5-{3-[(2e)-4-hydroxy-4-methylpent-2-en-1-yl]-3-methyloxiran-2-yl}-3-methyl-1-(1h-pyrrol-2-yl)penta-2,4-dien-1-one
C19H25NO3 (315.18343400000003)
(1s,5r,13r,14r,17r)-10,14-dimethoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7,9,11(18)-triene
C19H25NO3 (315.18343400000003)
(1r,7ar)-1-hydroxy-7-({[(2s)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-4-ium-4-olate
(1r,4s,7ar)-1-hydroxy-7-({[(2r)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-4-ium-4-olate
(1r,7as)-1-hydroxy-7-({[(2r)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-4-ium-4-olate
(3s,4r)-5-hydroxy-3-{4-[(3-methylbut-3-en-1-yl)oxy]phenyl}-4-(2-methylpropyl)-3,4-dihydropyrrol-2-one
C19H25NO3 (315.18343400000003)