Exact Mass: 357.21262360000003
Exact Mass Matches: 357.21262360000003
Found 346 metabolites which its exact mass value is equals to given mass value 357.21262360000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Zongorine
Songorine is a kaurane diterpenoid. Songorine is a diterpenoid alkaloid isolated from the genus Aconitum. Songorine is a GABAA receptor antagonist in rat brain and has anti cancer, antiarrhythmic and anti-inflammatory activities. Songorine has the potential for the treatment of Epithelial ovarian cancer (EOC)[1]. Songorine is a diterpenoid alkaloid isolated from the genus Aconitum. Songorine is a GABAA receptor antagonist in rat brain and has anti cancer, antiarrhythmic and anti-inflammatory activities. Songorine has the potential for the treatment of Epithelial ovarian cancer (EOC)[1]. Songorine is a diterpenoid alkaloid isolated from the genus Aconitum. Songorine is a GABAA receptor antagonist in rat brain and has anti cancer, antiarrhythmic and anti-inflammatory activities. Songorine has the potential for the treatment of Epithelial ovarian cancer (EOC)[1].
Oxybutynin
Oxybutynin is an anticholinergic medication used to relieve urinary and bladder difficulties, including frequent urination and inability to control urination, by decreasing muscle spasms of the bladder. It competitively antagonizes the M1, M2, and M3 subtypes of the muscarinic acetylcholine receptor. G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BD - Drugs for urinary frequency and incontinence C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D000089162 - Genitourinary Agents > D064804 - Urological Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3025 Oxybutynin is an anticholinergic agent, which inhibits vascular Kv channels in a concentration-dependent manner, with an IC50 of 11.51 μM[1]. Oxybutynin is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
(S)-Laudanosine
C21H27NO4 (357.19399820000007)
(S)-Laudanosine is found in opium poppy. (S)-Laudanosine is an alkaloid from Papaver somniferum (opium poppy Alkaloid from Papaver somniferum (opium poppy). (S)-Laudanosine is found in opium poppy. D002491 - Central Nervous System Agents DL-Laudanosine, an Atracurium and Cisatracurium metabolite, crosses the blood–brain barrier and may cause excitement and seizure activity[1]. DL-Laudanosine, an Atracurium and Cisatracurium metabolite, crosses the blood–brain barrier and may cause excitement and seizure activity[1].
Nalbuphine
C21H27NO4 (357.19399820000007)
Nalbuphine is only found in individuals that have used or taken this drug. It is a narcotic used as a pain medication. It appears to be an agonist at kappa opioid receptors and an antagonist or partial agonist at mu opioid receptors. [PubChem]The exact mechanism of action is unknown, but is believed to interact with an opiate receptor site in the CNS (probably in or associated with the limbic system). The opiate antagonistic effect may result from competitive inhibition at the opiate receptor, but may also be a result of other mechanisms. Nalbuphine is thought primarily to be a kappa agonist. It is also a partial mu antagonist analgesic, with some binding to the delta receptor and minimal agonist activity at the sigma receptor. 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 > N02AF - Morphinan derivatives 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
Proteinase inhibitor E 64
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents KEIO_ID E015; [MS2] KO008950 KEIO_ID E015
N-Desmethyltamoxifen
N-Desmethyltamoxifen is only found in individuals that have used or taken Tamoxifen. N-Desmethyltamoxifen is a metabolite of Tamoxifen. N-desmethyltamoxifen belongs to the family of Stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
Cinacalcet
C22H22F3N (357.17042480000003)
Cinacalcet (INN) is a drug that acts as a calcimimetic (i.e. it mimics the action of calcium on tissues) by allosteric activation of the calcium-sensing receptor that is expressed in various human organ tissues. It is sold by Amgen under the trade name Sensipar in North America and Australia and as Mimpara in Europe. Cinacalcet is used to treat hyperparathyroidism (elevated parathyroid hormone levels), a consequence of parathyroid tumors and chronic renal failure. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D057966 - Calcimimetic Agents H - Systemic hormonal preparations, excl. sex hormones and insulins > H05 - Calcium homeostasis > H05B - Anti-parathyroid agents C78275 - Agent Affecting Blood or Body Fluid > C2136 - Malignancy-Associated Hypercalcemia Inhibitor D000077264 - Calcium-Regulating Hormones and Agents
Dihydroretrofractamide B
Dihydroretrofractamide B is found in herbs and spices. Dihydroretrofractamide B is an alkaloid from the fruit of Piper nigrum (pepper). Alkaloid from the fruit of Piper nigrum (pepper). Dihydroretrofractamide B is found in herbs and spices and pepper (spice).
5-hydroxypropafenone
C21H27NO4 (357.19399820000007)
5-hydroxypropafenone is a metabolite of propafenone. Propafenone is a class of anti-arrhythmic medication, which treats illnesses associated with rapid heart beats such as atrial and ventricular arrhythmias. (Wikipedia) D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
(9Z)-3-Hydroxydodecenoylcarnitine
C19H35NO5 (357.25151000000005)
(9Z)-3-Hydroxydodecenoylcarnitine is an acylcarnitine. More specifically, it is an (9Z)-hydroxydodec-9-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. (9Z)-3-Hydroxydodecenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (9Z)-3-Hydroxydodecenoylcarnitine 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].
Undec-5-enedioylcarnitine
Undec-5-enedioylcarnitine is an acylcarnitine. More specifically, it is an undec-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. Undec-5-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Undec-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)-Undec-2-enedioylcarnitine
(2E)-Undec-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an (2E)-undec-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)-Undec-2-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E)-Undec-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].
Undec-4-enedioylcarnitine
Undec-4-enedioylcarnitine is an acylcarnitine. More specifically, it is an undec-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. Undec-4-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Undec-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].
Undec-3-enedioylcarnitine
Undec-3-enedioylcarnitine is an acylcarnitine. More specifically, it is an undec-3-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. Undec-3-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Undec-3-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].
(4E)-3-Hydroxydodec-4-enoylcarnitine
C19H35NO5 (357.25151000000005)
(4E)-3-Hydroxydodec-4-enoylcarnitine is an acylcarnitine. More specifically, it is an (4E)-3-hydroxydodec-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. (4E)-3-Hydroxydodec-4-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (4E)-3-Hydroxydodec-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].
(6Z)-3-Hydroxydodec-6-enoylcarnitine
C19H35NO5 (357.25151000000005)
(6Z)-3-Hydroxydodec-6-enoylcarnitine is an acylcarnitine. More specifically, it is an (6Z)-3-hydroxydodec-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. (6Z)-3-Hydroxydodec-6-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (6Z)-3-Hydroxydodec-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].
(8Z)-3-Hydroxydodec-8-enoylcarnitine
C19H35NO5 (357.25151000000005)
(8Z)-3-Hydroxydodec-8-enoylcarnitine is an acylcarnitine. More specifically, it is an (8Z)-3-hydroxydodec-8-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. (8Z)-3-Hydroxydodec-8-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (8Z)-3-Hydroxydodec-8-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].
(7E)-5-Hydroxydodec-7-enoylcarnitine
C19H35NO5 (357.25151000000005)
(7E)-5-Hydroxydodec-7-enoylcarnitine is an acylcarnitine. More specifically, it is an (7E)-5-hydroxydodec-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. (7E)-5-Hydroxydodec-7-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (7E)-5-Hydroxydodec-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].
(9E)-7-Hydroxydodec-9-enoylcarnitine
C19H35NO5 (357.25151000000005)
(9E)-7-Hydroxydodec-9-enoylcarnitine is an acylcarnitine. More specifically, it is an (9E)-7-hydroxydodec-9-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. (9E)-7-Hydroxydodec-9-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (9E)-7-Hydroxydodec-9-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].
(10E)-8-Hydroxydodec-10-enoylcarnitine
C19H35NO5 (357.25151000000005)
(10E)-8-Hydroxydodec-10-enoylcarnitine is an acylcarnitine. More specifically, it is an (10E)-8-hydroxydodec-10-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. (10E)-8-Hydroxydodec-10-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (10E)-8-Hydroxydodec-10-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].
3-oxododecanoylcarnitine
C19H35NO5 (357.25151000000005)
3-oxododecanoylcarnitine is an acylcarnitine. More specifically, it is an 3-oxododecanoic 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-oxododecanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-oxododecanoylcarnitine 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-Myristoyl Glutamic acid
C19H35NO5 (357.25151000000005)
N-myristoyl glutamic acid, also known as N-myristoyl glutamate 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 Myristic acid amide of Glutamic 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-Myristoyl Glutamic 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-Myristoyl Glutamic 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.
4,17-Dimethyltrilostane
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
N-(8-Amino-1-carboxyoctyl)-alanyl-proline
(3R,5R)-3-Butyl-3-ethyl-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide
C21H27NO2S (357.17624020000005)
Quinocarmycin analog
C19H23N3O4 (357.16884780000004)
D000970 - Antineoplastic Agents
(2R,3R)-3-[[(2S)-1-[4-(Diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
Enecadin
C26170 - Protective Agent > C1509 - Neuroprotective Agent
Epostane
Piperchabamide D
Piperchabamide d is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Piperchabamide d can be found in pepper (spice), which makes piperchabamide d a potential biomarker for the consumption of this food product.
delta-9-tetrahydrocannabinolate
delta9-tetrahydrocannabinolate is also known as thca or δ9-tetrahydrocannabinolic acid. delta9-tetrahydrocannabinolate is practically insoluble (in water) and a moderately acidic compound (based on its pKa). delta9-tetrahydrocannabinolate can be found in a number of food items such as devilfish, arrowhead, potato, and cereals and cereal products, which makes delta9-tetrahydrocannabinolate a potential biomarker for the consumption of these food products.
(E)-(4-Acetoxycinnamoyl)-epilupinine
C21H27NO4 (357.19399820000007)
(6-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone
N-(naphthalen-1-yl)-2-pentyl-2h-indazole-3-carboxamide
(1-butylindol-3-yl)-(4-methoxynaphthalen-1-yl)methanone
Oroboidin|pyrrole-3-carboxylic acid 13-oxo-dodecahydro-7,14-methano-dipyrido[1,2-a;1,2-e][1,5]diazocin-2-yl ester
C20H27N3O3 (357.20523120000007)
(2S)-[(2S)-aminopropionylamino]-5-{[(3S)-((1S)-methylpropyl)-4-oxooxetane-(2R)-carbonyl]amino}pentanoic acid|belactosin C
methyl 4-((E)-2-acetyl-4-oxonon-1-enyl)-6-((E)-prop-1-enyl)nicotinate|monascopyridine E|Monasnicotinate A
C21H27NO4 (357.19399820000007)
Laudanosine
C21H27NO4 (357.19399820000007)
D002491 - Central Nervous System Agents Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.628 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.624 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2441; CONFIDENCE confident structure DL-Laudanosine, an Atracurium and Cisatracurium metabolite, crosses the blood–brain barrier and may cause excitement and seizure activity[1]. DL-Laudanosine, an Atracurium and Cisatracurium metabolite, crosses the blood–brain barrier and may cause excitement and seizure activity[1].
Oxybutynin
G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BD - Drugs for urinary frequency and incontinence C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D000089162 - Genitourinary Agents > D064804 - Urological Agents CONFIDENCE standard compound; INTERNAL_ID 2516 CONFIDENCE standard compound; INTERNAL_ID 8497 Oxybutynin is an anticholinergic agent, which inhibits vascular Kv channels in a concentration-dependent manner, with an IC50 of 11.51 μM[1]. Oxybutynin is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
C19H23N3O4_2H-Pyrazino[1,2:1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, 6-acetyl-6,10b,11,11a-tetrahydro-10b-hydroxy-3-(2-methylpropyl)
C19H23N3O4 (357.16884780000004)
nalbuphine
C21H27NO4 (357.19399820000007)
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 > N02AF - Morphinan derivatives 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
5-hydroxypropafenone
C21H27NO4 (357.19399820000007)
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Laudanoside
C21H27NO4 (357.19399820000007)
Origin: Plant; Formula(Parent): C21H27NO4; Bottle Name:Laudanosine; PRIME Parent Name:Laudanosine; PRIME in-house No.:V0357; SubCategory_DNP: Isoquinoline alkaloids, Morphine alkaloids
songorine
Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid Songorine is a diterpenoid alkaloid isolated from the genus Aconitum. Songorine is a GABAA receptor antagonist in rat brain and has anti cancer, antiarrhythmic and anti-inflammatory activities. Songorine has the potential for the treatment of Epithelial ovarian cancer (EOC)[1]. Songorine is a diterpenoid alkaloid isolated from the genus Aconitum. Songorine is a GABAA receptor antagonist in rat brain and has anti cancer, antiarrhythmic and anti-inflammatory activities. Songorine has the potential for the treatment of Epithelial ovarian cancer (EOC)[1]. Songorine is a diterpenoid alkaloid isolated from the genus Aconitum. Songorine is a GABAA receptor antagonist in rat brain and has anti cancer, antiarrhythmic and anti-inflammatory activities. Songorine has the potential for the treatment of Epithelial ovarian cancer (EOC)[1].
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JWH 018 N-(5-hydroxypentyl) metabolite
Cinacalcet
C22H22F3N (357.17042480000003)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D057966 - Calcimimetic Agents H - Systemic hormonal preparations, excl. sex hormones and insulins > H05 - Calcium homeostasis > H05B - Anti-parathyroid agents C78275 - Agent Affecting Blood or Body Fluid > C2136 - Malignancy-Associated Hypercalcemia Inhibitor D000077264 - Calcium-Regulating Hormones and Agents
Dihydroretrofractamide B
6-Acetyl-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
C19H23N3O4 (357.16884780000004)
CAR 12:1;O
C19H35NO5 (357.25151000000005)
butyl prop-2-enoate,prop-2-enenitrile,prop-2-enoic acid,styrene
C21H27NO4 (357.19399820000007)
4-ISOTHIOCYANATOPHENYL 4-PENTYLBICYCLO
C21H27NO2S (357.17624020000005)
2-((tert-butyldiphenylsilyl)oxy)-N-methoxy-N-methylacetamide
Cafedrine
C18H23N5O3 (357.18008080000004)
C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
6-(4-Cyclopentylpiperazin-1-yl)pyridine-3-boronic acid pinacol ester
C20H32BN3O2 (357.25874419999997)
Setastine
C22H28ClNO (357.18593080000005)
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
N,N-dibenzyl-1-(phenylmethoxymethyl)cyclopropan-1-amine
sodium 1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-nonyl-1H-imidazolium hydroxide
Esoxybutynin
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
tert-Butyl 6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
C20H28BNO4 (357.21112780000004)
tert-Butyl 6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
C20H28BNO4 (357.21112780000004)
tert-Butyl 7-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
C20H28BNO4 (357.21112780000004)
4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)phenyl]morpholine
C17H23BF3NO3 (357.17229940000004)
dodecyl-(2-hydroxyethyl)-dimethylazanium,perchlorate
C16H36ClNO5 (357.22818760000007)
1-(TERT-BUTYLDIMETHYLSILYL)-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE
C20H32BNO2Si (357.22952419999996)
2-({6-[(3R)-3-Amino-1-piperidinyl]-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}methyl)benzamide
C18H23N5O3 (357.18008080000004)
(R)-N-(1-(naphthalen-1-yl)ethyl)-3-(4-(trifluoroMethyl)phenyl)propan-1-aMine
C22H22F3N (357.17042480000003)
N-Biotinyl-6-aminohexanoic acid
C16H27N3O4S (357.17221820000003)
9-[3-(CIS-3,5-DIMETHYL-1-PIPERAZINYL)PROPYL]CARBAZOLE MONOHYDROCHLORIDE
C21H28ClN3 (357.19716380000006)
Olorinab
C18H23N5O3 (357.18008080000004)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
(2S,3R)-N-(2-(3-Pyridinylmethyl)-1-azabicyclo(2.2.2)oct-3-yl)-3,5-difluorobenzamide
(R)-laudanosine
C21H27NO4 (357.19399820000007)
A benzylisoquinoline alkaloid that is (R)-tetrahydropapaverine in which the amino hydrogen has been replaced by a methyl group
(r)-Oxybutynin
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
4-(2-Pyridyl)piperazinyl 3,4,5-trimethoxyphenyl ketone
C19H23N3O4 (357.16884780000004)
delta-9-tetrahydrocannabinolate
delta9-tetrahydrocannabinolate is also known as thca or δ9-tetrahydrocannabinolic acid. delta9-tetrahydrocannabinolate is practically insoluble (in water) and a moderately acidic compound (based on its pKa). delta9-tetrahydrocannabinolate can be found in a number of food items such as devilfish, arrowhead, potato, and cereals and cereal products, which makes delta9-tetrahydrocannabinolate a potential biomarker for the consumption of these food products. Δ9-tetrahydrocannabinolate is also known as thca or δ9-tetrahydrocannabinolic acid. Δ9-tetrahydrocannabinolate is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Δ9-tetrahydrocannabinolate can be found in a number of food items such as devilfish, arrowhead, potato, and cereals and cereal products, which makes Δ9-tetrahydrocannabinolate a potential biomarker for the consumption of these food products.
Cannabichromenate
A hydroxy monocarboxylic acid anion that is the conjugate base of cannabichromenic acid, obtained by deprotonation of the carboxy group. Major species at pH 7.3.
Cannabidiolate
A dihydroxybenzoate that is the conjugate base of cannabidiolic acid, obtained by deprotonation of the carboxy group.
Delta(9)-tetrahydrocannabinolate
A hydroxy monocarboxylic acid anion that is the conjugate base of Delta(9)-tetrahydrocannabinolic acid, obtained by deprotonation of the carboxy group.
(4Z)-6-{3-[(1E,3E,5Z,7E,9S,11Z)-9-hydroxytetradeca-1,3,5,7,11-pentaen-1-yl]oxiran-2-yl}hex-4-enoate
N-[[(1R,2R)-3-Oxo-2-[(Z)-2-pentenyl]cyclopentan-1-yl]acetyl]-L-phenylalanine
C21H27NO4 (357.19399820000007)
N-[[(1R)-3-Oxo-2alpha-[(Z)-2-pentenyl]cyclopentane-1alpha-yl]acetyl]-L-phenylalanine
C21H27NO4 (357.19399820000007)
(2S)-2-[[2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]-3-phenylpropanoic acid
C21H27NO4 (357.19399820000007)
(4E)-3-Hydroxydodec-4-enoylcarnitine
C19H35NO5 (357.25151000000005)
(6Z)-3-Hydroxydodec-6-enoylcarnitine
C19H35NO5 (357.25151000000005)
(8Z)-3-Hydroxydodec-8-enoylcarnitine
C19H35NO5 (357.25151000000005)
(7E)-5-Hydroxydodec-7-enoylcarnitine
C19H35NO5 (357.25151000000005)
(9E)-7-Hydroxydodec-9-enoylcarnitine
C19H35NO5 (357.25151000000005)
(10E)-8-Hydroxydodec-10-enoylcarnitine
C19H35NO5 (357.25151000000005)
(2E,10E)-11-(1,3-benzodioxol-5-yl)-N-butan-2-ylundeca-2,10-dienamide
Protubonine A
C19H23N3O4 (357.16884780000004)
An organic heterotetracyclic compound that is 6,10b,11,11a-tetrahydro-H-pyrazino[1,2:1,5]pyrrolo[2,3-b]indole-,4(3H,5aH)-dione substituted by an acetyl group at position 6, a hydroxy group at position 10b and a 2-methylpropyl group at position 3. It has been isolated from in Aspergillus species. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D054659 - Diketopiperazines
Pipemidic acid trihydrate
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
1-cyclopentyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethylthiourea
C20H27N3OS (357.18747320000006)
(4R,4aS,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
C21H27NO4 (357.19399820000007)
(4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
C21H27NO4 (357.19399820000007)
N-[2-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamic acid tert-butyl ester
N-[6-(2-amino-4-fluoroanilino)-6-oxohexyl]-4-methylbenzamide
2-Oxospartein-13-yl 1H-pyrrole-2-carboxylate
C20H27N3O3 (357.20523120000007)
N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-1-phenylmethanamine
2-(Phenylmethyl)-5-[4-(phenylmethyl)-1-piperidinyl]-4-oxazolecarbonitrile
N-[2-(3-methylphenoxy)ethyl]-5-(4-morpholinyl)-2-nitroaniline
C19H23N3O4 (357.16884780000004)
6-Amino-2-methyl-8-(4-propan-2-ylphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile
9alpha-Hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oate(1-)
3-Hydroxy-9-oxo-9,10-seco-23,24-bisnorchola-1,3,5(10)-trien-22-oate
N-[2-[[4-(2-hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
6-Chloro-1-pyrollidino-4-triisopropylsilyloxycyclohexene
C19H36ClNOSi (357.22545560000003)
(1S,2aR,8bR)-4-[cyclobutyl(oxo)methyl]-1-(hydroxymethyl)-N-propyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
C20H27N3O3 (357.20523120000007)
4-[[(1R,5S)-7-[4-[(E)-2-phenylethenyl]phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methyl]-1,3-oxazole
(1R,2aS,8bS)-4-[cyclobutyl(oxo)methyl]-1-(hydroxymethyl)-N-propyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
C20H27N3O3 (357.20523120000007)
(2E,4E,6S,8R,10E)-7,9-Dimethoxy-3,6,8-trimethyl-11-phenylundeca-2,4,10-trienamide
(2E)-13-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tridec-2-enoate
C19H33O6- (357.22770180000003)
(E,12R)-12-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxytridec-2-enoate
C19H33O6- (357.22770180000003)
(S)-Laudanosine
C21H27NO4 (357.19399820000007)
D002491 - Central Nervous System Agents
e-64
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents
N-Desmethyltamoxifen
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
(9Z)-3-hydroxydodecenoylcarnitine
C19H35NO5 (357.25151000000005)
An O-acylcarnitine having (9Z)-3-hydroxydodecenoyl as the acyl substituent.
oscr#21(1-)
A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#21, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(1r,2r,3s,5s,7r,8r,12r,13s,18s,21r)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.2²,⁵.0²,⁷.0⁸,¹⁸.0⁸,²¹.0¹³,¹⁷]tricosan-3-ol
(1r,2r,5r,7r,8r,9r,10r,13r,16s,17r)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.1⁵,⁸.0¹,¹⁰.0²,⁸.0¹³,¹⁷]nonadecan-4-one
12-ethyl-7,17-dihydroxy-14-methyl-6-methylidene-12-azahexacyclo[8.7.1.1⁵,⁸.0¹,¹¹.0²,⁸.0¹⁴,¹⁸]nonadecan-4-one
(1r,2s,3s,5s,7r,8r,12r,13s,21r)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.2²,⁵.0²,⁷.0⁸,¹⁸.0⁸,²¹.0¹³,¹⁷]tricosan-3-ol
(1r,5r,11s,12s,14r,16r,17s,18r,20r,21r)-5-methyl-15-methylidene-10-oxa-7-azaheptacyclo[12.6.2.0¹,¹¹.0⁵,²⁰.0⁷,¹¹.0¹²,¹⁷.0¹⁷,²¹]docosane-16,18-diol
(1r,3r,4s,5s,8r,9s,11s,14s,17s,18r)-3,4-dihydroxy-5,7-dimethyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-10,16-dione
C21H27NO4 (357.19399820000007)
(1r,2r,7r,8s,9r,10r,13r,16s,17r)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.1⁵,⁸.0¹,¹⁰.0²,⁸.0¹³,¹⁷]nonadecan-4-one
(1s,6s,7s,9r,10s,15r,18s,19r,22s)-9-hydroxy-6,18-dimethyl-5-oxa-16-azahexacyclo[14.5.1.0¹,⁶.0⁷,¹⁵.0¹⁰,¹⁴.0¹⁹,²²]docos-13-en-4-one
(1r,3e,5s,10r)-14-hydroxy-3,17,17-trimethyl-7-methylidene-15-azatricyclo[8.5.2.0¹³,¹⁶]heptadeca-3,13(16),14-trien-5-yl acetate
n-(1,4-dimethoxy-1,4-dioxobutan-2-yl)-10-methyldodecanimidic acid
C19H35NO5 (357.25151000000005)
(6r,7s,10s,15r,16s,18s,19r,22s)-6,18-dimethyl-4-oxo-5-oxa-16-azahexacyclo[14.5.1.0¹,⁶.0⁷,¹⁵.0¹⁰,¹⁴.0¹⁹,²²]docos-13-en-16-ium-16-olate
dimethyl(2-{4,13,14-trimethoxy-2-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-7-yl}ethyl)amine
C21H27NO4 (357.19399820000007)
(1r)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinoline
C21H27NO4 (357.19399820000007)
5-hydroxy-4-(1-hydroxy-2,4-dimethyloct-6-en-1-ylidene)-2-[(4-hydroxyphenyl)methyl]-2h-pyrrol-3-one
C21H27NO4 (357.19399820000007)
(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-5-({[(2r,3s)-3-[(2s)-butan-2-yl]-4-oxooxetan-2-yl](hydroxy)methylidene}amino)pentanoic acid
(4e)-5-hydroxy-4-[(6e)-1-hydroxy-2,4-dimethyloct-6-en-1-ylidene]-2-[(4-hydroxyphenyl)methyl]-2h-pyrrol-3-one
C21H27NO4 (357.19399820000007)
n-[(2r)-1,4-dimethoxy-1,4-dioxobutan-2-yl]-10-methyldodecanimidic acid
C19H35NO5 (357.25151000000005)