Exact Mass: 303.194667
Exact Mass Matches: 303.194667
Found 402 metabolites which its exact mass value is equals to given mass value 303.194667,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Scopolamine
Scopolamine, also known as hyoscine, is a tropane alkaloid drug obtained from plants of the family Solanaceae (nightshades), such as henbane or jimson weed (Datura species). It is part of the secondary metabolites of plants. Scopolamine is used criminally as a date rape drug and as an aid to robbery, the most common act being the clandestine drugging of a victims drink. It is preferred because it induces retrograde amnesia, or an inability to recall events prior to its administration. Victims of this crime are often admitted to a hospital in police custody, under the assumption that the patient is experiencing a psychotic episode. A telltale sign is a fever accompanied by a lack of sweat. An alkaloid from Solanaceae, especially Datura metel L. and Scopola carniolica. Scopolamine and its quaternary derivatives act as antimuscarinics like atropine, but may have more central nervous system effects. Among the many uses are as an anesthetic premedication, in urinary incontinence, in motion sickness, as an antispasmodic, and as a mydriatic and cycloplegic. Scopolamine, also known as hyoscine, is a tropane alkaloid drug obtained from plants of the family Solanaceae (nightshades), such as henbane or jimson weed (Datura species). It is part of the secondary metabolites of plants. A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics C78283 - Agent Affecting Organs of Special Senses > C29706 - Mydriatic Agent N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents KEIO_ID S040; [MS2] KO009233 KEIO_ID S040
Cocaine
Cocaine, also known as coke, is an alkaloid ester obtained from the leaves of the coca plant (PMID: 20857618). It is a weakly alkaline compound and can therefore combine with acidic compounds to form white salts or powders (which is how it is typically sold and consumed). Cocaine is a strong stimulant that is most frequently used as a recreational drug. It is the second most frequently used illegal drug globally, after cannabis. The stimulant and hunger suppression properties of cocaine and coca leaf extracts have been known for thousands of years by indigenous groups in central and South America. The coca leaf was, and still is, chewed almost universally by some indigenous communities. Cocaine acts by inhibiting the reuptake of serotonin, norepinephrine, and dopamine. This inhibition leads to a number of mental and physical effects that may include loss of contact with reality, an intense feeling of happiness, periods of agitation, along with a rapid heart rate, sweating, and dialated pupils. Cocaine is highly addictive due to its effect on the reward pathway in the brain (PMID: 22856655). Cocaine addiction occurs through overexpression of the FosB protein in the nucleus accumbens of the brain, which results in altered transcriptional regulation in neurons within the nucleus accumbens. Cocaine is harmful. Its use increases the risk of stroke, myocardial infarction, lung problems (in those who smoke it), blood infections, and sudden cardiac death. Medically, cocaine is infrequently used as a local anesthetic and vasoconstrictor to cause loss of feeling or numbness before certain medical procedures (e.g., biopsy, stitches, wound cleaning) (PMID: 28956316). Topical cocaine is occasionally used as a local numbing agent to help with painful procedures in the mouth or nose. Cocaine is now predominantly used for nasal and lacrimal duct surgery. It works quickly to numb certain areas of the body (e.g., nose, ear, or throat) about 1-2 minutes after application. Cocaine functions as an anesthesia by reversibly binding to and inactivating sodium channels, thereby inhibiting excitation of nerve endings or by blocking conduction in peripheral nerves. Cocaine and its major metabolites are only found in individuals that have used or taken this drug. D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AD - Anesthetics, local S - Sensory organs > S02 - Otologicals > S02D - Other otologicals > S02DA - Analgesics and anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BC - Esters of benzoic acid S - Sensory organs > S01 - Ophthalmologicals > S01H - Local anesthetics > S01HA - Local anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 2817 EAWAG_UCHEM_ID 2817; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 1619 D049990 - Membrane Transport Modulators
SCHEMBL4290912
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
Samandarone
Vildagliptin
Vildagliptin, previously identified as LAF237, is a new oral anti-hyperglycemic agent (anti-diabetic drug) of the new dipeptidyl peptidase-4 (DPP-4) inhibitor class of drugs. Vildagliptin inhibits the inactivation of GLP-1 and GIP by DPP-4, allowing GLP-1 and GIP to potentiate the secretion of insulin in the beta cells and suppress glucaon release by the alpha cells of the islets of Langerhans in the pancreas. It is currently in clinical trials in the U.S. and has been shown to reduce hyperglycemia in type 2 diabetes mellitus. While the drug is still not approved for use in the US, it was approved in Feb 2008 by European Medicines Agency for use within the EU and is listed on the Australian PBS with certain restrictions. 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 D007004 - Hypoglycemic Agents > D054873 - Dipeptidyl-Peptidase IV Inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Vildagliptin (LAF237) is a potent, stable, selective dipeptidyl peptidase IV (DPP-IV) inhibitor with an IC50 of 3.5 nM in human Caco-2 cells. Vildagliptin possesses excellent oral bioavailability and potent antihyperglycemic activity[1].
beta-oxymorphol
beta-oxymorphol is a metabolite of oxymorphone. Oxymorphone (Opana, Numorphan, Numorphone) or 14-Hydroxydihydromorphinone is a powerful semi-synthetic opioid analgesic first developed in Germany in 1914, patented in the USA by Endo Pharmaceuticals in 1955 and introduced to the United States market in January 1959 and other countries around the same time. It (along with hydromorphone) was designed to have less incidence of side effects than morphine and heroin. (Wikipedia)
Fenoterol
Fenoterol is only found in individuals that have used or taken this drug. It is an adrenergic beta-2 agonist that is used as a bronchodilator and tocolytic. [PubChem]Beta(2)-receptor stimulation by fenoterol in the lung causes relaxation of bronchial smooth muscle, bronchodilation, and increased bronchial airflow. R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CA - Sympathomimetics, labour repressants D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents Fenoterol (Th-1165), a sympathomimetic agent, is a selective and orally active β2-adrenoceptor agonist. Fenoterol is an effective bronchodilator and can be used for bronchospasm associated with asthma, bronchitis and other obstructive airway diseases research[1][2].
gamma-Glutamylarginine
C11H21N5O5 (303.15426160000004)
gamma-Glutamylarginine is a dipeptide composed of gamma-glutamate and arginine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylarginine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Valyltryptophan
Valyltryptophan is a dipeptide composed of valine and tryptophan. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor Dipeptide 2 (N-Valyltryptophan; Val-Trp) is a bioactive peptide with anti-aging effect and has been reported used as a cosmetic ingredient[1].
Tryptophyl-Valine
Tryptophyl-Valine is a dipeptide composed of tryptophan and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Glutamylarginine
C11H21N5O5 (303.15426160000004)
Glutamylarginine is a dipeptide composed of glutamate and arginine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylarginine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Arginylglutamic acid
C11H21N5O5 (303.15426160000004)
Arginylglutamic acid is a dipeptide composed of arginine and glutamic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Pimelylcarnitine
Pimelylcarnitine is an acylcarnitine. More specifically, it is an pimelic 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. Pimelylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine pimelylcarnitine 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-Hydroxyetodolac
6-Hydroxyetodolac is a metabolite of Etodolac, a novel antiinflammatory agent. Metabolites of Etodolac include etodolac (1,8-diethyl-1,3,4,9-tetrahydropyrano-[3,4-b]indole-1-acetic acid) are described, viz. 6-hydroxyetodolac, N-methyletodolac, 4-ureidoetodolac, 8-(1-hydroxy)etodolac, and 4-oxoetodolac. (PMID: 2970548)
7-Hydroxyetodolac
7-Hydroxyetodolac is a metabolite of Etodolac. Phase I metabolites of Etodolac are 6-hydroxy etodolac (6-OH-ET), 7-hydroxy etodolac (7-OH-ET) and 8-(1-hydroxyethyl) etodolac (8-OH-ET). (PMID: 10961329)
alpha-noroxycodol
alpha-noroxycodol is a metabolite of oxymorphone. Oxymorphone (Opana, Numorphan, Numorphone) or 14-Hydroxydihydromorphinone is a powerful semi-synthetic opioid analgesic first developed in Germany in 1914, patented in the USA by Endo Pharmaceuticals in 1955 and introduced to the United States market in January 1959 and other countries around the same time. It (along with hydromorphone) was designed to have less incidence of side effects than morphine and heroin. (Wikipedia)
beta-noroxycodol
beta-noroxycodol is a metabolite of oxymorphone. Oxymorphone (Opana, Numorphan, Numorphone) or 14-Hydroxydihydromorphinone is a powerful semi-synthetic opioid analgesic first developed in Germany in 1914, patented in the USA by Endo Pharmaceuticals in 1955 and introduced to the United States market in January 1959 and other countries around the same time. It (along with hydromorphone) was designed to have less incidence of side effects than morphine and heroin. (Wikipedia)
3-hydroxyoctanoyl carnitine
3-Hydroxyoctanoyl carnitine is an acylcarnitine. More specifically, it is a 3-hydroxyoctanoic 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-Hydroxyoctanoyl carnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxyoctanoyl carnitine 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].
2,2-dimethylpentanedioylcarnitine
2,2-dimethylpentanedioylcarnitine is an acylcarnitine. More specifically, it is an 2,2-dimethylpentanedioic 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. 2,2-dimethylpentanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 2,2-dimethylpentanedioylcarnitine 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-Hydroxyoctanoylcarnitine
5-Hydroxyoctanoylcarnitine is an acylcarnitine. More specifically, it is an 5-hydroxyoctanoic 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-Hydroxyoctanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-Hydroxyoctanoylcarnitine 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-Hydroxyoctanoylcarnitine
7-Hydroxyoctanoylcarnitine is an acylcarnitine. More specifically, it is an 7-hydroxyoctanoic 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-Hydroxyoctanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 7-Hydroxyoctanoylcarnitine 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-Hydroxyoctanoylcarnitine
6-hydroxyoctanoylcarnitine is an acylcarnitine. More specifically, it is an 6-hydroxyoctanoic 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-hydroxyoctanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-hydroxyoctanoylcarnitine 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-Hydroxyoctanoylcarnitine
4-hydroxyoctanoylcarnitine is an acylcarnitine. More specifically, it is an 4-hydroxyoctanoic 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-hydroxyoctanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 4-hydroxyoctanoylcarnitine 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-Hydroxy-2-propylpentanoylcarnitine
5-Hydroxy-2-propylpentanoylcarnitine is an acylcarnitine. More specifically, it is an 5-hydroxy-2-propylpentanoic 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-Hydroxy-2-propylpentanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-Hydroxy-2-propylpentanoylcarnitine 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-v-2-propylpentanoylcarnitine
3-Hydroxy-2-propylpentanoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxy-2-propylpentanoic 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-Hydroxy-2-propylpentanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-Hydroxy-2-propylpentanoylcarnitine 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-Hydroxy-2-propylpentanoylcarnitine
4-Hydroxy-2-propylpentanoylcarnitine is an acylcarnitine. More specifically, it is an 4-hydroxy-2-propylpentanoic 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-Hydroxy-2-propylpentanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 4-Hydroxy-2-propylpentanoylcarnitine 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].
2-Ethylpentanedioylcarnitine
2-Ethylpentanedioylcarnitine is an acylcarnitine. More specifically, it is an 2-ethylpentanedioic 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. 2-Ethylpentanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 2-Ethylpentanedioylcarnitine 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 Cysteine
N-lauroyl cysteine 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 Cysteine. 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 Cysteine 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 Cysteine 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.
[(1S,2S,4R,5S)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
4-(1-Hydroxy-2-{[1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)benzene-1,2-diol
Aptiganel
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents
1-Oxononan-4-yl (2R)-2-acetamido-3-sulfanylpropanoate
C14H25NO4S (303.15042100000005)
(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-methoxy-2-phenylpropanoate
C18H25NO3 (303.18343400000003)
Zolmitriptan N-Oxide
1-[(5-Methoxy-2,3-dihydro-1H-indol-3-yl)methylideneamino]-2-pentylguanidine
N2-gamma-L-Glutamyl-L-arginine
C11H21N5O5 (303.15426160000004)
Constituent of Allium cepa (onion), Panax ginseng (ginseng). After intravenous administration of DTIC-Dome, the volume of distribution exceeds total body water content suggesting localization in some body tissue, probably the liver. Its disappearance from the plasma is biphasic with initial half-life of 19 minutes and a terminal half-life of 5 hours. 1 In a patient with renal and hepatic dysfunctions, the half-lives were lengthened to 55 minutes and 7.2 hours. 1 The average cumulative excretion of unchanged DTIC in the urine is 40\\% of the injected dose in 6 hours. 1 DTIC is subject to renal tubular secretion rather than glomerular filtration. At therapeutic concentrations DTIC is not appreciably bound to human plasma protein. N2-gamma-L-Glutamyl-L-arginine is found in garden onion, tea, and onion-family vegetables. Constituent of Allium cepa (onion), Panax ginseng (ginseng)
Scopolamine
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Scopolamine hydrobromide appears as colorless crystals or white powder or solid. Has no odor. pH (of 5\\% solution): 4-5.5. Slightly efflorescent in dry air. Bitter, acrid taste. (NTP, 1992) Scopolamine is a tropane alkaloid that is the (S)-tropic acid ester of 6beta,7beta-epoxy-1alphaH,5alphaH-tropan-3alpha-ol. It has a role as a muscarinic antagonist, an antiemetic, an adjuvant, a mydriatic agent, an antispasmodic drug, an anaesthesia adjuvant, an antidepressant and a metabolite. It is a propanoate ester, an epoxide, a tertiary amino compound and a tropane alkaloid. It is functionally related to a (S)-tropic acid. It is a conjugate base of a scopolamine(1+). Scopolamine is a tropane alkaloid isolated from members of the Solanaceae family of plants, similar to [atropine] and [hyoscyamine], all of which structurally mimic the natural neurotransmitter [acetylcholine]. Scopolamine was first synthesized in 1959, but to date, synthesis remains less efficient than extracting scopolamine from plants. As an acetylcholine analogue, scopolamine can antagonize muscarinic acetylcholine receptors (mAChRs) in the central nervous system and throughout the body, inducing several therapeutic and adverse effects related to alteration of parasympathetic nervous system and cholinergic signalling. Due to its dose-dependent adverse effects, scopolamine was the first drug to be offered commercially as a transdermal delivery system, Scopoderm TTS®, in 1981. As a result of its anticholinergic effects, scopolamine is being investigated for diverse therapeutic applications; currently, it is approved for the prevention of nausea and vomiting associated with motion sickness and surgical procedures. Scopolamine was first approved by the FDA on December 31, 1979, and is currently available as both oral tablets and a transdermal delivery system. Scopolamine is an Anticholinergic. The mechanism of action of scopolamine is as a Cholinergic Antagonist. Hyoscine is a natural product found in Duboisia leichhardtii, Duboisia myoporoides, and other organisms with data available. Scopolamine is a tropane alkaloid derived from plants of the nightshade family (Solanaceae), specifically Hyoscyamus niger and Atropa belladonna, with anticholinergic, antiemetic and antivertigo properties. Structurally similar to acetylcholine, scopolamine antagonizes acetylcholine activity mediated by muscarinic receptors located on structures innervated by postganglionic cholinergic nerves as well as on smooth muscles that respond to acetylcholine but lack cholinergic innervation. The agent is used to cause mydriasis, cycloplegia, to control the secretion of saliva and gastric acid, to slow gut motility, and prevent vomiting. An alkaloid from SOLANACEAE, especially DATURA and SCOPOLIA. Scopolamine and its quaternary derivatives act as antimuscarinics like ATROPINE, but may have more central nervous system effects. Its many uses include an anesthetic premedication, the treatment of URINARY INCONTINENCE and MOTION SICKNESS, an antispasmodic, and a mydriatic and cycloplegic. A tropane alkaloid that is the (S)-tropic acid ester of 6beta,7beta-epoxy-1alphaH,5alphaH-tropan-3alpha-ol. C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent C78283 - Agent Affecting Organs of Special Senses > C29706 - Mydriatic Agent CONFIDENCE standard compound; INTERNAL_ID 1149; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5225; ORIGINAL_PRECURSOR_SCAN_NO 5222 CONFIDENCE standard compound; INTERNAL_ID 1149; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5230; ORIGINAL_PRECURSOR_SCAN_NO 5228 CONFIDENCE standard compound; INTERNAL_ID 1149; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5252; ORIGINAL_PRECURSOR_SCAN_NO 5251 CONFIDENCE standard compound; INTERNAL_ID 1149; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5243; ORIGINAL_PRECURSOR_SCAN_NO 5241 CONFIDENCE standard compound; INTERNAL_ID 1149; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5254; ORIGINAL_PRECURSOR_SCAN_NO 5252 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2318 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.290 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.274 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.276
(+-)-N-Methyloreolin|(??)-Oridine|N-Methyl-oreolin|N-Methyl-oridin|N-Methyloreolin
C18H25NO3 (303.18343400000003)
10-Phenyl-8-propyllobeliolone|8-Propyl-10-phenyl-lobeliolon
(2R,2S)-3-(2,3-Dihydroxy-3-methylbutyl)-5-(2,3-epoxy-3-methylbutyl)indole
C18H25NO3 (303.18343400000003)
(E)-N-methyl-N-(1-naphthylmethyl)-3-(4-hydroxyphenyl)-2-propen-1-amine
(-)-suaveoline|(6S,13S)-4-ethyl-6,7,12,13-tetrahydro-7-methyl-6,13-imino-5H-pyrido[3,4:5,6]cyclooct[1,2-b]indole|4-ethyl-7-methyl-6,7,12,13-tetrahydro-5H-6,13-epiazano-pyrido[3,4:5,6]cycloocta[1,2-b]indole|Suaveolin|suaveoline|Suaveoline +
(-)-berkeleyamide A|(10S,11R,14S)-berkeleyamide A|berkeleyamide A
C18H25NO3 (303.18343400000003)
2-[(3-isopropoy-O-beta-D-glucopyranosyl)oxy]-2-methylbutanenitrile
(-)-3-methoxy-4-O-methyljoubertiamine|(S)-3-Methoxy-4-O-methyljoubertiamine|O-methyljoubertiamine
C18H25NO3 (303.18343400000003)
(2E)-N-isobutyl-7-(3,4-methylenedioxy)phenylheptenenamide|(2E)-N-isobutyl-7-(3,4-methylenedioxyphenyl)hepta-2-enamide|Pipercallosidine
C18H25NO3 (303.18343400000003)
10-O-demethylproemethine|10-O-demethylprotoemetine
C18H25NO3 (303.18343400000003)
(6R)-3alpha-benzoyloxy-6beta-acetoxytropane|6beta-acetoxy-3alpha-benzoyloxytropane
3,4-dihydro-5,8,9-trimethoxy-2,2-dimethyl-2h-pyrano[2,3-b]quinoline
3-hydroxy-3-nonyl-1H-quinoline-2,4-dione
C18H25NO3 (303.18343400000003)
4-hydroxy-6-[(E,E)-3,7-dimethylocta-2,5-dienyl]-3-methyl-5-propyl-1H-pyridin-2-one|iromycin A|NK26588
(E)-N-methyl-N-(1-naphthylmethyl)-3-(3-hydroxyphenyl)-2-propen-1-amine
Galantamine N-Oxide
Galanthamine N-Oxide is a natural product found in Lycoris sanguinea, Lycoris radiata, and Lycoris incarnata with data available. Galanthamine N-Oxide is an alkaloid obtained from the bulbs of Zephyranthes concolor. Galanthamine N-Oxide inhibits electric eel acetylcholinesterase (AChE) with an EC50 of 26.2 μM. Galanthamine N-Oxide is a prominent inhibitor of substrate accommodation in the active site of the Torpedo californica AChE (TcAChE), hAChE and hBChE enzymes[1][2].
Vildagliptin
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 D007004 - Hypoglycemic Agents > D054873 - Dipeptidyl-Peptidase IV Inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor CONFIDENCE standard compound; INTERNAL_ID 2266 INTERNAL_ID 2266; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 3146 Vildagliptin (LAF237) is a potent, stable, selective dipeptidyl peptidase IV (DPP-IV) inhibitor with an IC50 of 3.5 nM in human Caco-2 cells. Vildagliptin possesses excellent oral bioavailability and potent antihyperglycemic activity[1].
fenoterol
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CA - Sympathomimetics, labour repressants D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents Fenoterol (Th-1165), a sympathomimetic agent, is a selective and orally active β2-adrenoceptor agonist. Fenoterol is an effective bronchodilator and can be used for bronchospasm associated with asthma, bronchitis and other obstructive airway diseases research[1][2].
C18H25NO3_2-Heptenamide, 7-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2E)
C18H25NO3 (303.18343400000003)
cocaine
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AD - Anesthetics, local S - Sensory organs > S02 - Otologicals > S02D - Other otologicals > S02DA - Analgesics and anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BC - Esters of benzoic acid S - Sensory organs > S01 - Ophthalmologicals > S01H - Local anesthetics > S01HA - Local anesthetics A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
Atroscine
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Tropane alkaloids
1-Pyrrolidinepropanol, a-(4-hydroxycyclohexyl)-a-phenyl-, trans-
1-Pyrrolidinepropanol, a-(4-hydroxycyclohexyl)-a-phenyl-, cis-
Val Trp
Dipeptide 2 (N-Valyltryptophan; Val-Trp) is a bioactive peptide with anti-aging effect and has been reported used as a cosmetic ingredient[1].
TRP-Val
A dipeptide formed from L-tryptophan and L-valine residues.
Val-TRP
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor Dipeptide 2 (N-Valyltryptophan; Val-Trp) is a bioactive peptide with anti-aging effect and has been reported used as a cosmetic ingredient[1].
4-(1,1-Dimethylethyl)phenyl 1-(aminoiminomethyl)-4-piperidinecarboxyla te
TERT-BUTYL 2-((TERT-BUTOXYCARBONYL)AMINO)-6-HYDROXYHEXANOATE
Auramine O
C17H22ClN3 (303.15021620000005)
D000890 - Anti-Infective Agents D004396 - Coloring Agents D004202 - Disinfectants
(2E)-N-(2,4-DIMETHYLPHENYL)-2-(HYDROXYIMINO)ACETAMIDE
4-(trans-4-Propylcyclohexyl)-[1,1-biphenyl]-4-carbonitrile
Hydromorphinol
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
benzyl 3-[3-(aminomethyl)azetidin-1-yl]piperidine-1-carboxylate
tert-butyl 3-(2-ethoxy-2-oxoethyl)indole-1-carboxylate
2-(Tert-butylcarbonylamino)phenylboronic acid pinacol ester
1-METHYL-4-(6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)PIPERAZINE
N-(PIPERIDIN-1-YL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-AMINE
2-piperazin-1-yl-4,6-dipyrrolidin-1-yl-1,3,5-triazine
1-METHYL-4-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)PIPERAZINE
4-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine
4-(2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL)MORPHOLINE
TERT-BUTYL SPIRO[ISOCHROMAN-1,4-PIPERIDINE]-1-CARBOXYLATE
C18H25NO3 (303.18343400000003)
TERT-BUTYL 2-(2-ETHOXY-2-OXOETHYL)-1H-INDOLE-1-CARBOXYLATE
tert-Butyl 3-hydroxyspiro[indan-1,4-piperidine]-1-carboxylate
C18H25NO3 (303.18343400000003)
4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine
N,N-diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
3-(2-METHOXYCARBONYL-ETHYL)-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
N-Methyl-3-pyrrolidinyl Cyclopentylmandelate
C18H25NO3 (303.18343400000003)
N-CYCLOHEXYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-AMINE
N-Isopropyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
N-propyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
N-Isopropyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
N-propyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
3-Allyl-1-[(benzyloxy)carbonyl]-3-piperidinecarboxylic acid
1-[3-(4-TERT-BUTYLBENZOYL)-PROPYL]-4-HYDROXYPIPERIDINE
n-t-butyl-3-(4-(p-methoxyphenyl)piperazinyl)azetidine
tert-Butyl 4-(4-methylbenzoyl)piperidine-1-carboxylate
C18H25NO3 (303.18343400000003)
3-(2-CARBOXY-1-METHYL-ETHYL)-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-Methyl-2-propanyl 1-oxo-3-phenyl-2-oxa-5-azaspiro[3.4]octane-5- carboxylate
tert-Butyl 4-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate
Butoxamine hydrochloride
Butaxamine (Butoxamin) hydrochloride is a specific β2-adrenergic receptor blocker. Butaxamine hydrochloride inhibits the decreases in urine volume in ethanol-anesthetized, water-diuretic rats[1].
Methyl (8-benzyl-1-oxa-8-azaspiro[4.5]dec-2-yl)acetate
C18H25NO3 (303.18343400000003)
Benzyl 2-oxo-3-oxa-9-azaspiro[5.5]undecane-9-carboxylate
tert-butyl 3-oxospiro[2-benzofuran-1,4-piperidine]-1-carboxylate
DI-TERT-BUTYL(NEOPENTYL)PHOSPHONIUM TETRAFLUOROBORATE
C13H29BF4P (303.20359420000005)
7-((1-METHYLPIPERIDIN-4-YL)METHOXY)-6-METHOXYQUINAZOLIN-4(3H)-ONE
Benzyl 4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
1H-PYRROLO[2,3-B]PYRIDIN-5-AMINE, 2-METHYL-1-[TRIS(1-METHYLETHYL)SILYL]-
2-(CYCLOHEXYLOXY)-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE
tert-butyl 4-(1,3-benzoxazol-2-yl)piperazine-1-carboxylate
1-methyl-4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)piperazine
3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one
C18H25NO3 (303.18343400000003)
(2R)-1-[2-[(3-Hydroxytricyclo[3.3.1.1(3,7)]dec-1-yl)amino]acetyl]-2-pyrrolidinecarbonitrile
(2R)-Vildagliptin is the isomer of Vildagliptin (HY-14291), and can be used as an experimental control. Vildagliptin (LAF237) is a potent, stable, selective dipeptidyl peptidase IV (DPP-IV) inhibitor with an IC50 of 3.5 nM in human Caco-2 cells. Vildagliptin possesses excellent oral bioavailability and potent antihyperglycemic activity[1].
(3R,4S,5S)-4-(tert-butoxycarbonyl(Methyl)amino)-3-Methoxy-5-Methylheptanoic acid
4-[1-Methyl-5-(4-morpholinyl)-1H-benzimidazol-2-yl]butanoic acid
3-(1,3-Dimethylbutylidene)Aminopropyl Triethoxysilane
C15H33NO3Si (303.22295879999996)
2-(4-Methyl-piperazin-1-yl)pyridine-5-boronic acid pinacol ester
benzyl N-[(1-piperidin-4-ylazetidin-3-yl)methyl]carbamate
N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Aditoprim
C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists C254 - Anti-Infective Agent > C52588 - Antibacterial Agent
5-tert-Butyl-4-diethylaminomethyl-2-methyl-furan-3-carboxylic acid hydrochloride
2-Cyclohexyloxypyridine-3-boronic acid pinacol ester
4-(((benzyloxy)carbonyl)amino)bicyclo[2.2.2]octane-1-carboxylic acid
butyl prop-2-enoate, prop-2-enamide, styrene
C18H25NO3 (303.18343400000003)
benzyl N-[(1-piperidin-3-ylazetidin-3-yl)methyl]carbamate
N,N-dimethyl-2-[5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1H-indol-3-yl]ethanamine Oxide
7-(3,5-Dimethyl-1-pyrazolyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
(1-Tert-butyl-5-phenyl-1h-pyrrol-3-yl)(phenyl)methanone
(3Z,5Z)-3,5-bis[(4-methylphenyl)methylidene]piperidin-4-one
N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide
3-hydroxyoctanoyl carnitine
3-Hydroxyoctanoyl carnitine is an acylcarnitine. More specifically, it is a 3-hydroxyoctanoic 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-Hydroxyoctanoyl carnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxyoctanoyl carnitine 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].
(5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoate
C20H31O2- (303.23239259999997)
(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
C20H31O2- (303.23239259999997)
2,2-Dimethyl-4-(1H-1,2,4-triazole-1-yl)-7-phenoxy-3-heptanol
(5Z,11Z,14Z,17Z)-icosa-5,11,14,17-tetraenoate
C20H31O2- (303.23239259999997)
1-[(5-Methoxy-2,3-dihydro-1H-indol-3-yl)methylideneamino]-2-pentylguanidine
1-Oxononan-4-yl (2R)-2-acetamido-3-sulfanylpropanoate
C14H25NO4S (303.15042100000005)
Pipercallosidine
C18H25NO3 (303.18343400000003)
An enamide that is (2E)-N-isobutylhept-2-enamide which is substituted at position 7 by a 3,4-methylenedioxyphenyl group. A natural product found in Piper sarmentosum.
Leu-Thr-Ala
A tripeptide composed of L-leucine, L-threonine and L-alanine joined in sequence by peptide linkages.
[(4R,5S)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
(2E,6E,10E)-geranylgeranate
C20H31O2- (303.23239259999997)
A polyunsaturated fatty acid anion resulting from the removal of a proton from the carboxy group of (2E,6E,10E)-geranylgeranic acid; major species at pH 7.3.
8-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
5-(3-Methylbutyl)-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione
O-pimelylcarnitine
An O-acylcarnitine in which the acyl group specified is pimelyl.
3-hydroxy-7-methyl-2-[(1E,3E)-nona-1,3-dien-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione
3-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylpyrrolidine-1-carboxamide
(4S)-4-(6-carboxyhexanoyloxy)-4-(trimethylazaniumyl)butanoate
[(2R,3R,6S)-3-amino-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-2-oxanyl]methanol
[(2R,3R,6R)-3-amino-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-2-oxanyl]methanol
[(2R,3S,6S)-3-amino-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-2-oxanyl]methanol
[(2S,3S,6R)-3-amino-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-2-oxanyl]methanol
Discadenine(1-)
An L-alpha-amino-acid anion that is the conjugate base formed when discadenine (a 6-isopentenylaminopurine having a 3-amino-3-carboxypropyl group attached at the 3-position) is deprotonated.
1-(2-amino-1-oxobutyl)-N-butyl-2,3-dihydroindole-2-carboxamide
1-{(E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazol-3-ium
9-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]nonanoate
(8R)-8-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]nonanoate
2-[(1S)-1,8-diethyl-6-hydroxy-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
2-amino-3-methyl-4H-imidazol-5-one;2-(6-methoxy-1H-indol-3-yl)ethanamine
2-[(1S)-1-ethyl-8-(2-hydroxyethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
2-[(1S)-1,8-diethyl-7-hydroxy-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
Sdccgsbi-0051046.P002
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
[(2R,4S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2R)-3-hydroxy-2-phenylpropanoate
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives
1-Butyl-5-hydroxy-3-methoxycarbonyl-2,4,6,7-tetramethylindole
C18H25NO3 (303.18343400000003)
2-(2-Hydroxyethoxy)-N-(2-(dimethylamino)ethyl)-4-qutnolinecarboxamide
N(6)-[(indol-3-yl)acetyl]-L-lysine
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
Arachidonate
A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid.
Aptiganel
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents
O-pimelyl-L-carnitine
An O-acyl-L-carnitine that is L-carnitine having a pimelyl group as the acyl substituent.
3-Hydroxyoctanoylcarnitine
An O-acylcarnitine having 3-hydroxyoctanoyl as the acyl substituent.
oscr#10(1-)
A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#10, obtained by deprotonation of the carboxy group; major species at pH 7.3.
ascr#10(1-)
A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of ascr#10. The conjugate base of ascr#10 and the major species at pH 7.3.
icosatetraenoate
A polyunsaturated fatty acid anion that is the conjugate base of icosatetraenoic acid, obtained by deprotonation of the carboxy group. Major species at pH 7.3.
N(6)-[(indol-3-yl)acetyl]-L-lysine zwitterion
Zwitterionic form of N(6)-[(indol-3-yl)acetyl]-L-lysine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
all-cis-8,11,14,17-icosatetraenoate
An unsaturated fatty acid anion that is the conjugate base of all-cis-8,11,14,17-icosatetraenoic acid, obtained by deprotonation of the carboxy group.
pyranonigrin K
A member of the class of pyranopyrroles with formula C17H21NO4, originally isolated from Aspergillus niger.
(5Z,11Z,14Z,17Z)-icosatetraenoate
An icosatetraenoate that is the conjugate base of (5Z,11Z,14Z,17Z)-icosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(5s)-5,8,9-trimethoxy-2,10-dimethyl-4h,5h-pyrano[2,3-b]quinoline
9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraene-2,14-diol
(1s,10s,12s,15r)-4,12-dimethoxy-9-azatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5,13-tetraene-5,15-diol
(2s,3r,4s,6s)-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),13,15(19)-triene-3,4-diol
(1s,2r,4s,5s,7r)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl 3-hydroxy-2-phenylpropanoate
(1s,14r,15s,16s)-4,5-dimethoxy-9-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2(7),3,5,12-tetraene-14,15-diol
(1s,2r,12s,14r)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraene-2,14-diol
5-({[2-hydroxy-2-(4-hydroxyphenyl)ethyl](methyl)amino}methyl)-2-methoxyphenol
(1r,2r,12s,14s)-9-methoxy-3-methyl-11-oxa-3-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraene-2,14-diol
5-(6-methoxy-2h-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)pent-2-en-1-one
6-[(1r,2s,4ar,6r,8ar)-6-hydroxy-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-amino-2-oxopyran-3-carbaldehyde
2-amino-4-[(4-carbamimidamido-1-carboxybutyl)-c-hydroxycarbonimidoyl]butanoic acid
C11H21N5O5 (303.15426160000004)
1-[(2r,6r)-6-[(2s)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]pentan-2-one
n-{3-[(2s,5s)-5-benzyl-3,6-dihydroxy-2,5-dihydropyrazin-2-yl]propyl}guanidine
17-ethyl-3-methyl-3,15,20-triazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8,13(18),14,16-heptaene
(2s)-2-amino-6-{[1-hydroxy-2-(1h-indol-3-yl)ethylidene]amino}hexanoic acid
4,5-dimethoxy-9-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2(7),3,5,12-tetraene-14,15-diol
3-(3-hydroxy-3-methylbut-1-en-1-yl)-4,8-dimethoxy-1-methylquinolin-2-one
5-({[(2r)-2-hydroxy-2-(4-hydroxyphenyl)ethyl](methyl)amino}methyl)-2-methoxyphenol
9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraene-3,14-diol
(2s)-2-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-isopropoxyoxan-2-yl]oxy}-2-methylbutanenitrile
(1s,15r,16r,21s)-4,14,20-triazahexacyclo[13.6.2.0²,¹⁴.0³,¹¹.0⁵,¹⁰.0¹⁶,²¹]tricosa-2,4,6,8,10,12-hexaene
1-{5-[(3,3-dimethyloxiran-2-yl)methyl]-1h-indol-3-yl}-3-methylbutane-2,3-diol
C18H25NO3 (303.18343400000003)
2-{[3,5-dihydroxy-6-(hydroxymethyl)-4-isopropoxyoxan-2-yl]oxy}-2-methylbutanenitrile
(2s,11bs)-2-[(2r)-1-hydroxybut-3-en-2-yl]-9-methoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-10-ol
C18H25NO3 (303.18343400000003)
(2s,3r,4r,6s)-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),13,15(19)-triene-3,4-diol
6-[(1r,2s,4ar,6s,8ar)-6-hydroxy-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-amino-2-oxopyran-3-carbaldehyde
3-(2-hydroxy-3-methylbut-3-en-1-yl)-4,8-dimethoxy-1-methylquinolin-2-one
5,8,9-trimethoxy-2,10-dimethyl-4h,5h-pyrano[2,3-b]quinoline
(9bs,11r,12s)-11-methoxy-1h,2h,4h,5h,10h,11h,12h-indolo[7a,1-a]isoquinoline-7,8,12-triol
(1s,2s,12s,14r)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraene-2,14-diol
(6e,12r,14s)-3,14-dihydroxy-4,6-dimethyl-2-azabicyclo[10.3.1]hexadeca-1(15),2,6,8-tetraene-5,16-dione
(2s,11bs)-2-[(2s)-1-hydroxybut-3-en-2-yl]-9-methoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-10-ol
C18H25NO3 (303.18343400000003)
(2s)-2-{[(4s)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-5-carbamimidamidopentanoic acid
C11H21N5O5 (303.15426160000004)
4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one
(4s)-4-[(3r,5r)-5-[(2s)-butan-2-yl]-2-hydroxy-4,5-dihydro-3h-pyrrol-3-yl]-4-hydroxy-1-phenylbutan-2-one
C18H25NO3 (303.18343400000003)
(4s)-4-(3,4-dimethoxyphenyl)-4-[2-(dimethylamino)ethyl]cyclohex-2-en-1-one
C18H25NO3 (303.18343400000003)
4,14,20-triazahexacyclo[13.6.2.0²,¹⁴.0³,¹¹.0⁵,¹⁰.0¹⁶,²¹]tricosa-2,4,6,8,10,20-hexaene
7-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)hept-2-enimidic acid
C18H25NO3 (303.18343400000003)
(2r)-1-(5-{[(2s)-3,3-dimethyloxiran-2-yl]methyl}-1h-indol-3-yl)-3-methylbutane-2,3-diol
C18H25NO3 (303.18343400000003)
(1r,2r,4s,5s,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2s)-3-hydroxy-2-phenylpropanoate
2-[(2r,3r,11bs)-3-ethyl-10-hydroxy-9-methoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-2-yl]acetaldehyde
C18H25NO3 (303.18343400000003)
6-[(2e,5e)-3,7-dimethylocta-2,5-dien-1-yl]-3-methyl-5-propylpyridine-2,4-diol
9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-trien-15-ol
11-methoxy-1h,2h,4h,5h,10h,11h,12h-indolo[7a,1-a]isoquinoline-7,8,12-triol
(1r,2r,4s,5s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2s)-3-hydroxy-2-phenylpropanoate
(2e)-4-[(1s,3r,4s,7s)-4-hexyl-2-oxa-6-azatricyclo[5.3.0.0¹,³]dec-8-en-10-ylidene]but-2-enoic acid
C18H25NO3 (303.18343400000003)
(2e)-5-(6-methoxy-2h-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)pent-2-en-1-one
(2r,4s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl 3-hydroxy-2-phenylpropanoate
(2e)-7-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)hept-2-enimidic acid
C18H25NO3 (303.18343400000003)
4,7,8-trimethoxy-3-(3-methylbut-2-en-1-yl)quinolin-2-ol
(4s)-4-hydroxy-4-[(3r,5s)-2-hydroxy-5-(2-methylpropyl)-4,5-dihydro-3h-pyrrol-3-yl]-1-phenylbutan-2-one
C18H25NO3 (303.18343400000003)
(1r,2r,4s,5s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl 3-hydroxy-2-phenylpropanoate
(1s,3s,12s,14r)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraene-3,14-diol
2-(1-hydroxybut-3-en-2-yl)-9-methoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-10-ol
C18H25NO3 (303.18343400000003)
3-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-4,8-dimethoxy-1-methylquinolin-2-one
16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),13,15(19)-triene-3,4-diol
3,14-dihydroxy-4,6-dimethyl-2-azabicyclo[10.3.1]hexadeca-1(15),2,6,8-tetraene-5,16-dione
2-amino-6-{[1-hydroxy-2-(1h-indol-3-yl)ethylidene]amino}hexanoic acid
(1r,15r,16s)-4,14,20-triazahexacyclo[13.6.2.0²,¹⁴.0³,¹¹.0⁵,¹⁰.0¹⁶,²¹]tricosa-2,4,6,8,10,20-hexaene
1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]pentan-2-one
3-[(1e)-3-hydroxy-3-methylbut-1-en-1-yl]-4,8-dimethoxy-1-methylquinolin-2-one
(1r,2s,4r,5s,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2s)-3-hydroxy-2-phenylpropanoate
6-(3,7-dimethylocta-2,5-dien-1-yl)-3-methyl-5-propylpyridine-2,4-diol
(1s,10s,11r,13s,15r)-15-methyl-14-oxo-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-yl acetate
C18H25NO3 (303.18343400000003)
(9br,11r,12r)-11-methoxy-1h,2h,4h,5h,10h,11h,12h-indolo[7a,1-a]isoquinoline-7,8,12-triol
4-(3,4-dimethoxyphenyl)-4-[2-(dimethylamino)ethyl]cyclohex-2-en-1-one
C18H25NO3 (303.18343400000003)
4-hydroxy-4-[2-hydroxy-5-(2-methylpropyl)-4,5-dihydro-3h-pyrrol-3-yl]-1-phenylbutan-2-one
C18H25NO3 (303.18343400000003)
2-{3-ethyl-10-hydroxy-9-methoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-2-yl}acetaldehyde
C18H25NO3 (303.18343400000003)