Exact Mass: 361.2416944
Exact Mass Matches: 361.2416944
Found 322 metabolites which its exact mass value is equals to given mass value 361.2416944,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
PHA-793887
N-Arachidonoylglycine
C22H35NO3 (361.26168000000007)
N-Arachidonoylglycine (NAGly) is an endogenous lipid, which is a metabolite of the endocannabinoid anandamide by oxidation and acts as an efficacious agonist at GPR18. A previous study demonstrates that NAGly triggers antinociceptive and anti-inflammatory activities. A human metabolite taken as a putative food compound of mammalian origin [HMDB]
4-Hydroxydecanedioylcarnitine
C17H31NO7 (361.21004159999995)
4-Hydroxydecanedioylcarnitine is an acylcarnitine. More specifically, it is an 4-hydroxydecanedioic 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-Hydroxydecanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 4-Hydroxydecanedioylcarnitine 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-Hydroxydecanedioylcarnitine
C17H31NO7 (361.21004159999995)
3-Hydroxydecanedioylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxydecanedioic 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-Hydroxydecanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-Hydroxydecanedioylcarnitine 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-Hydroxydecanedioylcarnitine
C17H31NO7 (361.21004159999995)
5-Hydroxydecanedioylcarnitine is an acylcarnitine. More specifically, it is an 5-hydroxydecanedioic 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-Hydroxydecanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-Hydroxydecanedioylcarnitine 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-Arachidonoyl Glycine
C22H35NO3 (361.26168000000007)
N-arachidonoyl glycine 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 an Arachidonic acid amide of Glycine. 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-Arachidonoyl Glycine 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-Arachidonoyl Glycine 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. A human metabolite taken as a putative food compound of mammalian origin [HMDB]
(+)-Butaclamol
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
6-(6-(3r-Hydroxy-1e,5z-undecadien-1-yl)-2-pyridinyl)-1,5s-hexanediol
C22H35NO3 (361.26168000000007)
Octocrylene
C1892 - Chemopreventive Agent > C851 - Sunscreen
Semagacestat
Octocrylene
C1892 - Chemopreventive Agent > C851 - Sunscreen CONFIDENCE standard compound; INTERNAL_ID 2501 CONFIDENCE standard compound; INTERNAL_ID 8141 CONFIDENCE standard compound; EAWAG_UCHEM_ID 229
N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(5-fluoropentan-1-yl)-1H-indole-3-carboxamide
(Z)-N-<2-(4-hydroxy-3-methoxyphenyl)ethyl>-3-methyldodec-2-enamide|(Z)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-methyldodec-2-enamide|3-Methoxy-(Z)-N-[2-(4-Hydroxyphenyl)-ethyl]-3-methyl-2-dodecenamide
C22H35NO3 (361.26168000000007)
(Z)-N-<2-(3-hydroxy-4-methoxyphenyl)ethyl>-3-methyldodec-2-enamide|(Z)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-methyldodec-2-enamide|Me ether,3-hydroxy-(Z)-N-[2-(4-Hydroxyphenyl)-ethyl]-3-methyl-2-dodecenamide
C22H35NO3 (361.26168000000007)
20-ethyl-1alpha,8-dihydroxy-4-methyl-heteratisan-14-one|Hetereophyllin|heterophylline|heterophylline (Aconitum)
C21H31NO4 (361.22529660000004)
methyl (2R,5S,8S,15R)-5-ethyl-6-hydroxy-2-hydroxymethyl-6-azapentacyclo[9.5.1.01,5.02,8.014,17]heptadec-11(17)-ene-15-carboxylate|N-hydroxypaxdaphnine B
C21H31NO4 (361.22529660000004)
Liconosine A|N-deethyl-N,19-didehydrosachaconitine|N-deethyl-N-19-didehydrosachaconitine
C21H31NO4 (361.22529660000004)
Ala Gly Lys Ser
Ala Gly Ser Lys
Ala Lys Gly Ser
Ala Lys Ser Gly
Ala Ser Gly Lys
Ala Ser Lys Gly
Gly Ala Lys Ser
Gly Ala Ser Lys
Gly Gly Lys Thr
Gly Gly Thr Lys
Gly Lys Ala Ser
Gly Lys Gly Thr
Gly Lys Ser Ala
Gly Lys Thr Gly
Gly Ser Ala Lys
Gly Ser Lys Ala
Gly Thr Gly Lys
Gly Thr Lys Gly
Lys Ala Gly Ser
Lys Ala Ser Gly
Lys Gly Ala Ser
Lys Gly Gly Thr
Lys Gly Ser Ala
Lys Gly Thr Gly
Lys Ser Ala Gly
Lys Ser Gly Ala
Lys Thr Gly Gly
Ser Ala Gly Lys
Ser Ala Lys Gly
Ser Gly Ala Lys
Ser Gly Lys Ala
Ser Lys Ala Gly
Ser Lys Gly Ala
Thr Gly Gly Lys
Thr Gly Lys Gly
Thr Lys Gly Gly
U-75302
C22H35NO3 (361.26168000000007)
anti-testosterone-3-CMO
C21H31NO4 (361.22529660000004)
Cinchonan-9-amine, 10,11-dihydro-6-methoxy-, trihydrochloride , (9R)
C20H28ClN3O (361.19207880000005)
Butaclamol
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
6-(4-(Ethoxycarbonyl)piperazin-1-yl)pyridine-3-boronic acid pinacol ester
C18H28BN3O4 (361.21727580000004)
3-Pyridinemethanol, 4-(4-fluoro-2-hydroxyphenyl)-a-methyl-2,6-bis(1-methylethyl)-5-propyl-
3-Pyridinemethanol, 4-(4-fluoro-2-hydroxyphenyl)-a-methyl-2,6-bis(1-methylethyl)-5-propyl-, (aR,4R)- (9CI)
methyl 5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
1-(Piperidin-1-yl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)propan-2-ol
BENZYL N-BOC-4-ISOPROPYL-4-PIPERIDINECARBOXYLATE
C21H31NO4 (361.22529660000004)
1,3-Propanediamine,N1,N1-diethyl-N3-(6-methyl-5H-pyrido[3,4:4,5]pyrrolo[2,3-g]isoquinolin-10-yl)-
butyl prop-2-enoate,N-(methoxymethyl)-2-methylprop-2-enamide,styrene
C21H31NO4 (361.22529660000004)
tert-Butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazine-4(3H)-carboxylate
C19H28BNO5 (361.20604280000003)
(2R)-2-[(4-tert-butylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
C21H31NO4 (361.22529660000004)
Semagacestat
D004791 - Enzyme Inhibitors > D000091062 - Gamma Secretase Inhibitors and Modulators C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
1-TRIISOPROPYLSILANYL-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID METHOXY-METHYL-AMIDE
Furethidine
C21H31NO4 (361.22529660000004)
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist
Tert-Butyl(S)-1-((S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-ylamino)-1-oxopropan-2-ylcarbamate
2,3,4,5-Tetrahydro-2-isobutyl-8-methyl-5-[2-(6-methyl-3-pyridyl)ethyl]-1H-pyrido[4,3-b]indole
BOC-(S)-ALPHA-(4-TERT-BUTYL-BENZYL)-PROLINE
C21H31NO4 (361.22529660000004)
1-Butanol, 4-[(5,6-diphenyl-2-pyrazinyl)(1-methylethyl)amino]-
C23H27N3O (361.21540120000003)
4-(Triethoxysilylpropoxy)-2,2,6,6-Tetramethylpiperidine
N-cyclohexyl-2-(4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenoxy)acetamide
C21H31NO4 (361.22529660000004)
Dapiprazole Hydrochloride
C19H28ClN5 (361.20331180000005)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants Dapiprazole hydrochloride is a potent, selective and orally active alpha-1 adrenoceptor antagonist. Dapiprazole hydrochloride suppresses the opioid withdrawal symptoms. Dapiprazole hydrochloride is also used as eye drops for reversing mydriasis[1][2][3].
Decyl 2-acetamido-2-deoxy-β-D-glucopyranoside
C18H35NO6 (361.24642500000004)
2-[acetyl-[3-(diethylamino)propyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
Prenoxdiazine
C23H27N3O (361.21540120000003)
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent
Butaclamol free base
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
N-(1-adamantyl)-4-[oxo(2-oxolanyl)methyl]-1-piperazinecarboxamide
C20H31N3O3 (361.23652960000004)
17-(4-Hydroxyphenyl)heptadecanoate
C23H37O3- (361.27425519999997)
(6R)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclo
(4R)-4,5-dihydroxy-2-(2-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)-3-oxocyclohexa-1,5-dien-1-olate
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid
11-[2-(Diethylamino)ethylamino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
1-[1-(Phenylmethyl)-4-piperidinyl]-3-(2,4,4-trimethylpentan-2-yl)thiourea
C21H35N3S (361.25515500000006)
1-[4-(2,3-Dimethylphenyl)-1-piperazinyl]-2-(1-methyl-3-indolyl)ethanone
C23H27N3O (361.21540120000003)
(4Z,7Z,10Z,13Z,15E,17S)-17-hydroperoxydocosa-4,7,10,13,15-pentaenoate
C22H33O4- (361.23787180000005)
(7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosa-7,10,13,15,19-pentaenoate
C22H33O4- (361.23787180000005)
(7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosa-7,10,12,16,19-pentaenoate
C22H33O4- (361.23787180000005)
(4Z,7Z,10Z,12E,16Z)-14-hydroperoxydocosa-4,7,10,12,16-pentaenoate
C22H33O4- (361.23787180000005)
(8E,10Z,14E,16Z,19Z)-7,13-dihydroxydocosa-8,10,14,16,19-pentaenoate
C22H33O4- (361.23787180000005)
2-[[(5E,8E,11E,14E)-Icosa-5,8,11,14-tetraenoyl]amino]acetic acid
C22H35NO3 (361.26168000000007)
2-(dimethylamino)-1-[(1S,5R)-7-[4-[(E)-2-phenylethenyl]phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanone
C23H27N3O (361.21540120000003)
N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-2-(4-morpholinyl)-N-propan-2-ylacetamide
C20H31N3O3 (361.23652960000004)
N-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-2-(4-morpholinyl)acetamide
N-[[(2R,3S,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-2-(4-morpholinyl)acetamide
N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-2-(4-morpholinyl)-N-propan-2-ylacetamide
C20H31N3O3 (361.23652960000004)
N-[[(2R,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-2-(4-morpholinyl)acetamide
N-[[(2S,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-2-(4-morpholinyl)acetamide
N-[[(2R,3R,4S)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-2-(4-morpholinyl)acetamide
N-[[(2S,3R,4S)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-2-(4-morpholinyl)acetamide
(7Z,9E,11E,14S,16Z,19Z)-13,14-dihydroxydocosa-7,9,11,16,19-pentaenoate
C22H33O4- (361.23787180000005)
(7Z,10Z,12E,14S,16Z,19Z)-14,21-dihydroxydocosa-7,10,12,16,19-pentaenoate
C22H33O4- (361.23787180000005)
(7R,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosa-8,10,12,16,19-pentaenoate
C22H33O4- (361.23787180000005)
7,17-dihydroxy-(8Z,15E,19Z)-docosa-8,10,13,15,19-pentaenoate
C22H33O4- (361.23787180000005)
A docosanoid anion that is the conjugate base of 7,17-dihydroxy-(8Z,15E,19Z)-docosa-8,10,13,15,19-pentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(7Z,10R,11E,13E,15Z,17S,19Z)-10,17-dihydroxydocosa-7,11,13,15,19-pentaenoate
C22H33O4- (361.23787180000005)
(7Z,10Z,12E,14E,17S,19Z)-16,17-dihydroxydocosa-7,10,12,14,19-pentaenoate
C22H33O4- (361.23787180000005)
(3R,11R)-11-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxydodecanoate
C18H33O7- (361.22261679999997)
(3R)-12-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxydodecanoate
C18H33O7- (361.22261679999997)
(7Z,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosa-7,10,12,16,19-pentaenoate
C22H33O4- (361.23787180000005)
(7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosa-7,10,13,15,19-pentaenoate
C22H33O4- (361.23787180000005)
4-(2-Butanoyloxy-3-propanoyloxypropoxy)-2-(trimethylazaniumyl)butanoate
C17H31NO7 (361.21004159999995)
4-(3-Acetyloxy-2-pentanoyloxypropoxy)-2-(trimethylazaniumyl)butanoate
C17H31NO7 (361.21004159999995)
N-Arachidonylglycine
C22H35NO3 (361.26168000000007)
Biologically active derivative of anandamide
resolvin T4(1-)
A docosanoid anion that is the conjugate base of resolvin T4, obtained by deprotonation of the carboxy group; major species at pH 7.3.
14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoate
A docosanoid anion that is the conjugate base of 14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(7R,14S)-dihydroxy-(8E,10E,12Z,16Z,19Z)-docosapentaenoate
A docosanoid anion that is the conjugate base of (7R,14S)-dihydroxy-(8E,10E,12Z,16Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(10R,17S)-dihydroxy-(7Z,11E,13E,15Z,19Z)-docosapentaenoate
A docosanoid anion that is the conjugate base of (10R,17S)-dihydroxy-(7Z,11E,13E,15Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoate
A docosanoid anion that is the conjugate base of 16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(7Z,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosapentaenoate
A (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoate in which the chiral centre at position 14 has S-configuration.
(7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosapentaenoate
A (7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosapentaenoate in which the chiral centre at position 17 has S-configuration. An intermediate of specialised proresolving mediators.
13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoate
A docosanoid anion that is the conjugate base of 13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(13s)-13-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,13-dihydroxytridecan-4-one
C18H35NO6 (361.24642500000004)
(1r,2r,4r,5r,6s,7r,8r,9r,10r,13r,16s,17r)-11-ethyl-6,13-dimethyl-11-azahexacyclo[7.7.2.1⁵,⁸.0¹,¹⁰.0²,⁸.0¹³,¹⁷]nonadecane-4,7,16-triol
C22H35NO3 (361.26168000000007)
4-{6-hydroxy-14-isopropyl-12-azapentacyclo[8.6.0.0²,¹³.0³,⁷.0⁷,¹²]hexadecan-2-yl}butanoic acid
C22H35NO3 (361.26168000000007)
13-(2-hydroxyethyl)-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.2⁴,⁷.0¹,¹⁰.0²,⁷]nonadecane-6,8-diol
C22H35NO3 (361.26168000000007)
2-hydroxy-9a-methoxy-3,4a,5-trimethyl-4h,5h,6h,7h,8h,8ah,9h-cyclohexa[f]indol-6-yl 2-methylbut-2-enoate
C21H31NO4 (361.22529660000004)
(1s,2r,3r,4s,5s,8s,9s,10r,13r,16r,17r)-11-ethyl-16-methoxy-13-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-4,8-diol
C22H35NO3 (361.26168000000007)
6-methoxy-13,16-dimethyl-19-(prop-1-en-2-yl)-15-oxa-4-azapentacyclo[14.3.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰]icosa-2(14),3(11),5(10),6,8,12-hexaene
(4as,5r,6s,8ar,9ar)-2-hydroxy-9a-methoxy-3,4a,5-trimethyl-4h,5h,6h,7h,8h,8ah,9h-cyclohexa[f]indol-6-yl (2z)-2-methylbut-2-enoate
C21H31NO4 (361.22529660000004)
(1s,4s,9s,12s,13s,16r,17r)-17-(hydroxymethyl)-9-methoxy-12-methyl-8-azapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5,7-diene-7,17-diol
C21H31NO4 (361.22529660000004)
13-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,13-dihydroxytridecan-4-one
C18H35NO6 (361.24642500000004)
(1r,2s,3s,5r,7s,10r,11s,13r,14r,17s,18s,19r)-4-ethyl-10-methyl-6-oxa-4-azaheptacyclo[15.2.1.0²,⁷.0²,¹¹.0³,¹³.0⁵,¹⁰.0¹⁴,¹⁹]icosane-13,14,18-triol
C21H31NO4 (361.22529660000004)
n-[3-(acetyloxy)octadeca-6,9,12,15-tetraen-2-yl]ethanimidic acid
C22H35NO3 (361.26168000000007)
(1s,4s,9s,12s,13r,16r,17r)-17-(hydroxymethyl)-9-methoxy-12-methyl-8-azapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5,7-diene-7,17-diol
C21H31NO4 (361.22529660000004)
17-hydroxyhomodaphniphyllicacid
C22H35NO3 (361.26168000000007)
{"Ingredient_id": "HBIN002057","Ingredient_name": "17-hydroxyhomodaphniphyllicacid","Alias": "NA","Ingredient_formula": "C22H35NO3","Ingredient_Smile": "CC(C)C1CCC2(C3CCC45C(C2(C1N4C3)CCC(=O)O)CCC5O)C","Ingredient_weight": "361.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10165","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11152646","DrugBank_id": "NA"}
n-[(2s,3r,6z,9z,12z,15z)-3-(acetyloxy)octadeca-6,9,12,15-tetraen-2-yl]ethanimidic acid
C22H35NO3 (361.26168000000007)
6,16-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-ene-4,8-diol
C21H31NO4 (361.22529660000004)
(13r)-13-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,13-dihydroxytridecan-4-one
C18H35NO6 (361.24642500000004)
2,2,2-trifluoro-1-(2-methyl-3-tridecyl-4,5-dihydropyrrol-1-yl)ethanone
C20H34F3NO (361.25923500000005)
methyl (1r,2r,5s,8s,14r,15r)-5-ethyl-6-hydroxy-2-(hydroxymethyl)-6-azapentacyclo[9.5.1.0¹,⁵.0²,⁸.0¹⁴,¹⁷]heptadec-11(17)-ene-15-carboxylate
C21H31NO4 (361.22529660000004)
4-[(1s,2s,3s,6r,7r,10s,13s,14r)-6-hydroxy-14-isopropyl-12-azapentacyclo[8.6.0.0²,¹³.0³,⁷.0⁷,¹²]hexadecan-2-yl]butanoic acid
C22H35NO3 (361.26168000000007)
9-methoxy-3,8-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazole
9-methoxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazole
(1s,2r,3r,4s,5s,6s,8s,9s,10r,13r,16s,17r)-6,16-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-ene-4,8-diol
C21H31NO4 (361.22529660000004)
12-ethyl-9,17-dihydroxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.1²,⁶.0¹,¹¹.0³,⁹.0¹⁴,¹⁸]icosan-4-one
C21H31NO4 (361.22529660000004)
2-[(1s,2s,4s,6r,7r,8r,10r,11r)-6,8-dihydroxy-4,7,11-trimethyl-5-methylidene-13-azatetracyclo[9.3.3.0¹,¹⁰.0²,⁷]heptadecan-13-yl]acetaldehyde
C22H35NO3 (361.26168000000007)
10-methoxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazole
(2z)-n-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-methyldodec-2-enimidic acid
C22H35NO3 (361.26168000000007)
n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-methyldodec-2-enimidic acid
C22H35NO3 (361.26168000000007)
5,7-dimethyl-7-azaspiro[hexacyclo[7.6.2.2¹⁰,¹³.0¹,⁸.0⁵,¹⁶.0¹⁰,¹⁵]nonadecane-12,2'-oxirane]-2,11,18-triol
C21H31NO4 (361.22529660000004)
17-(hydroxymethyl)-9-methoxy-12-methyl-8-azapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5,7-diene-7,17-diol
C21H31NO4 (361.22529660000004)
3-[1-(but-2-en-2-yl)-3-hydroxy-7-methyl-1,4,4a,5,8,8a-hexahydro-2-benzopyran-3-yl]-5-(2-methylpropyl)-4,5-dihydro-3h-pyrrol-2-ol
C22H35NO3 (361.26168000000007)
(3r)-10-methoxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazole
3-[hydroxy(1,2,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl)methylidene]-5-(1-hydroxyethyl)-1-methylpyrrolidine-2,4-dione
C21H31NO4 (361.22529660000004)
5-(1-hydroxyethyl)-1-methyl-3-(1,2,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalene-1-carbonyl)pyrrolidine-2,4-dione
C21H31NO4 (361.22529660000004)
3-[(1s,2s,3r,7r,8s,10s,13s,14r)-7-hydroxy-14-isopropyl-1-methyl-12-azapentacyclo[8.6.0.0²,¹³.0³,⁸.0⁷,¹²]hexadecan-2-yl]propanoic acid
C22H35NO3 (361.26168000000007)
(3r)-9-methoxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazole
n-(2,4,10,17-tetrahydroxyheptadecyl)ethanimidic acid
(13r)-13-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,13-dihydroxytridecan-5-one
C18H35NO6 (361.24642500000004)
(2s)-n-(5-carbamimidamido-1-oxopentan-2-yl)-2-[(1-hydroxypropylidene)amino]-3-phenylpropanimidic acid
10-methoxy-3,8-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazole
(3s)-10-methoxy-3,8-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazole
13-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,13-dihydroxytridecan-5-one
C18H35NO6 (361.24642500000004)
n-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-methyldodec-2-enimidic acid
C22H35NO3 (361.26168000000007)
2-methyl-3-(3,7,11-trimethyldodeca-2,4,6,10-tetraen-1-yl)-1h-quinolin-4-one
(2z)-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-methyldodec-2-enimidic acid
C22H35NO3 (361.26168000000007)
(5s)-3-[(1s,2s,4ar,6s,8as)-1,2,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalene-1-carbonyl]-5-[(1r)-1-hydroxyethyl]-1-methylpyrrolidine-2,4-dione
C21H31NO4 (361.22529660000004)
({[(3r,5r)-3-amino-6-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-1,5-dihydroxyhexylidene]amino}(methyl)amino)acetic acid
3-[(1s,2r,3s,7r,8r,10r,13r,14r)-3-hydroxy-14-isopropyl-1-methyl-12-azapentacyclo[8.6.0.0²,¹³.0³,⁸.0⁷,¹²]hexadecan-2-yl]propanoic acid
C22H35NO3 (361.26168000000007)
3-[(1s,2r,3s,7r,8r,10r,13s,14r)-7-hydroxy-14-isopropyl-1-methyl-12-azapentacyclo[8.6.0.0²,¹³.0³,⁸.0⁷,¹²]hexadecan-2-yl]propanoic acid
C22H35NO3 (361.26168000000007)
6-methoxy-8,16-dimethyl-19-(prop-1-en-2-yl)-15-oxa-4-azapentacyclo[14.3.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰]icosa-2(14),3(11),5(10),6,8,12-hexaene
4-ethyl-10-methyl-6-oxa-4-azaheptacyclo[15.2.1.0²,⁷.0²,¹¹.0³,¹³.0⁵,¹⁰.0¹⁴,¹⁹]icosane-13,14,18-triol
C21H31NO4 (361.22529660000004)
(1s,2r,3s,6r,9s,10s,11r,14r,17s,18r)-12-ethyl-9,17-dihydroxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.1²,⁶.0¹,¹¹.0³,⁹.0¹⁴,¹⁸]icosan-4-one
C21H31NO4 (361.22529660000004)
(3r,5s)-3-[(1s,2s,4ar,6s,8as)-1,2,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalene-1-carbonyl]-5-[(1r)-1-hydroxyethyl]-1-methylpyrrolidine-2,4-dione
C21H31NO4 (361.22529660000004)
3-[(1s,2s,3s,7s,8r,10s,13s,14r)-3-hydroxy-14-isopropyl-1-methyl-12-azapentacyclo[8.6.0.0²,¹³.0³,⁸.0⁷,¹²]hexadecan-2-yl]propanoic acid
C22H35NO3 (361.26168000000007)
(1s,2s,4s,6r,7r,8r,10r,11r)-13-(2-hydroxyethyl)-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.2⁴,⁷.0¹,¹⁰.0²,⁷]nonadecane-6,8-diol
C22H35NO3 (361.26168000000007)
(13s)-13-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,13-dihydroxytridecan-5-one
C18H35NO6 (361.24642500000004)
3-[(2s,3r,7r,8s,13s,14r)-7-hydroxy-14-isopropyl-1-methyl-12-azapentacyclo[8.6.0.0²,¹³.0³,⁸.0⁷,¹²]hexadecan-2-yl]propanoic acid
C22H35NO3 (361.26168000000007)
2-methyl-3-[(2e,4e,6e)-3,7,11-trimethyldodeca-2,4,6,10-tetraen-1-yl]-1h-quinolin-4-one
(5r)-3-[(1r,2s,4as,6r,8ar)-1,2,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalene-1-carbonyl]-4-hydroxy-5-[(1r)-1-hydroxyethyl]-1-methyl-5h-pyrrol-2-one
C21H31NO4 (361.22529660000004)
3-[(2s,3s,7s,8r,13s,14r)-3-hydroxy-14-isopropyl-1-methyl-12-azapentacyclo[8.6.0.0²,¹³.0³,⁸.0⁷,¹²]hexadecan-2-yl]propanoic acid
C22H35NO3 (361.26168000000007)
(3r,5s)-3-[(1s,3r,4ar,8as)-1-[(2e)-but-2-en-2-yl]-3-hydroxy-7-methyl-1,4,4a,5,8,8a-hexahydro-2-benzopyran-3-yl]-5-(2-methylpropyl)-4,5-dihydro-3h-pyrrol-2-ol
C22H35NO3 (361.26168000000007)
(1s,2r,4s,6r,7r,8r,10s,11r)-13-(2-hydroxyethyl)-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.2⁴,⁷.0¹,¹⁰.0²,⁷]nonadecane-6,8-diol
C22H35NO3 (361.26168000000007)