Exact Mass: 373.22663420000003
Exact Mass Matches: 373.22663420000003
Found 500 metabolites which its exact mass value is equals to given mass value 373.22663420000003
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Curvacin A
C23H35NOS (373.24392200000005)
Production by Lactobacillus curvatus LTH 1174. Bacteriocin.
Endoxifen
Endoxifen (EDX) is a key active metabolite of tamoxifen (TAM) with higher affinity and specificity to estrogen receptors that also inhibits aromatase activity. (PMID: 23274567) Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. Tamoxifen is the usual endocrine therapy for hormone receptor-positive breast cancer in pre-menopausal women, and is also a standard in post-menopausal women although aromatase inhibitors are also frequently used in that setting. (Wikipedia) The pharmacological activity of Tamoxifen is dependent on its conversion to its active metabolite, endoxifen, by CYP2D6. (PMID: 23711794) Tamoxifen is a largely inactive pro-drug, requiring metabolism into its most important metabolite endoxifen. Since the cytochrome P450 (CYP) 2D6 enzyme is primarily involved in this metabolism, genetic polymorphisms of this enzyme, but also drug-induced CYP2D6 inhibition can result in considerably reduced endoxifen formation and as a consequence may affect the efficacy of tamoxifen treatment. (PMID: 23760858)
alpha-Hydroxy-N-desmethyltamoxifen
alpha-Hydroxy-N-desmethyltamoxifen is a metabolite of tamoxifen. Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. Tamoxifen is the usual endocrine therapy for hormone receptor-positive breast cancer in pre-menopausal women, and is also a standard in post-menopausal women although aromatase inhibitors are also frequently used in that setting. (Wikipedia)
Dodecanedioylcarnitine
C19H35NO6 (373.24642500000004)
Dodecanedioylcarnitine is classified as a tricarboxylic acid or a Tricarboxylic acid derivative. Tricarboxylic acids are carboxylic acids containing exactly three carboxyl groups. Dodecanedioylcarnitine is considered to be a practically insoluble (in water) and a weak acidic compound. Dodecanedioylcarnitine can be found in blood. A human metabolite taken as a putative food compound of mammalian origin [HMDB]
alpha-Hydroxy-N-desmethyl-tamoxifen
alpha-Hydroxy-N-desmethyl-tamoxifen is a metabolite of tamoxifen. Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. Tamoxifen is the usual endocrine therapy for hormone receptor-positive breast cancer in pre-menopausal women, and is also a standard in post-menopausal women although aromatase inhibitors are also frequently used in that setting. (Wikipedia)
O-(11-Carboxyundecanoyl)carnitine
C19H35NO6 (373.24642500000004)
O-(11-Carboxyundecanoyl)carnitine is an acylcarnitine. More specifically, it is an dodecanedioic 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. O-(11-Carboxyundecanoyl)carnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine O-(11-Carboxyundecanoyl)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].
N-Eicosapentaenoyl Alanine
C23H35NO3 (373.26168000000007)
N-eicosapentaenoyl alanine 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 Eicosapentaenoic acid amide of Alanine. 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-Eicosapentaenoyl Alanine 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-Eicosapentaenoyl Alanine 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.
(2,3-Dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
C22H28FNO3 (373.20531100000005)
1-(3,5-Dimethyl-1-phenyl-4-pyrazolyl)-N-[4-(phenylmethyl)-1-piperazinyl]methanimine
Bunazosin
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
p-Chlorodisopyramide
C21H28ClN3O (373.19207880000005)
Equisetin
C22H31NO4 (373.22529660000004)
A member of the class of tetramic acids that is trichosetin in which the hydrogen attached to the lactam nitrogen has been replaced by a methyl group. It is produced by the filamentous fungus Fusarium heterosporum.
2-(10-Hydroxy-10-methyldodecyl)-3-methoxy-4(1H)-quinolone
C23H35NO3 (373.26168000000007)
2-(11-Hydroxy-11-methyldodecyl)-3-methoxy-4(1H)-quinolone
C23H35NO3 (373.26168000000007)
(6alpha,7alpha)-6-hydroxy-21-(2-hydroxyethyl)-4-methyl-7,20-epoxyatid-16-en-19-one|spiramilactam A
C22H31NO4 (373.22529660000004)
pyrrole-2-carboxylic acid 13-hydroxy-11-oxo-dodecahydro-7,14-methano-dipyrido[1,2-a;1,2-e][1,5]diazocin-2-yl ester
C20H27N3O4 (373.20014620000006)
O-methylpisiferic acid dimethylamine salt
C23H35NO3 (373.26168000000007)
(+)-4beta-N-methenetauryl-10beta-methoxy-1beta,5alpha,6beta,7beta-aromadendrane
C19H35NO4S (373.2286670000001)
2-(12-Hydroxytridecyl)-3-methoxy-4(1H)-quinolone
C23H35NO3 (373.26168000000007)
3-oxo-11alpha,19,22-trihydroxycona-1,4-diene|pubatriol
C22H31NO4 (373.22529660000004)
calpurmeninepyrrolecarboxylic acid
C20H27N3O4 (373.20014620000006)
hemsleyaconitine F|rel-(2R,3S,4aR,8R,11S)-13-ethyl-1,3,4,5,6,8,9,10,11,11b-decahydro-3,11-dimethoxy-8-methyl-2H-2,4a-methano-8,11a-(methanoiminomethano)dibenzo[a,c][7]annulen-15-one
C23H35NO3 (373.26168000000007)
C22H31NO4_(5R)-3-({(1S,2R,4aS,6R,8aR)-1,6-Dimethyl-2-[(1E)-1-propen-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}carbonyl)-4-hydroxy-5-(hydroxymethyl)-1-methyl-1,5-dihydro-2H-pyrrol-2-one
C22H31NO4 (373.22529660000004)
Volinanserin
C22H28FNO3 (373.20531100000005)
CONFIDENCE standard compound; INTERNAL_ID 893; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7066; ORIGINAL_PRECURSOR_SCAN_NO 7062 D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist CONFIDENCE standard compound; INTERNAL_ID 893; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7133; ORIGINAL_PRECURSOR_SCAN_NO 7131 CONFIDENCE standard compound; INTERNAL_ID 893; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7168; ORIGINAL_PRECURSOR_SCAN_NO 7167 CONFIDENCE standard compound; INTERNAL_ID 893; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7181; ORIGINAL_PRECURSOR_SCAN_NO 7180 CONFIDENCE standard compound; INTERNAL_ID 893; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7111; ORIGINAL_PRECURSOR_SCAN_NO 7109 CONFIDENCE standard compound; INTERNAL_ID 893; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7184; ORIGINAL_PRECURSOR_SCAN_NO 7181 Volinanserin is a potent and selective antagonist of 5-HT2 receptor, with a Ki of 0.36 nM, and shows 300-fold selectivity for 5-HT2 receptor over 5-HT1c, alpha-1 and DA D2 receptors. Volinanserin has antipsychotic activity.
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Bunazosin
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
Gly Ala Ala Arg
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CAR 12:1;O2
C19H35NO6 (373.24642500000004)
2-FLUORO-4-[[4-(TRANS-4-PENTYLCYCLOHEXYL)PHENYL]ETHYNYL]CYANOPHENYL
3-N-BOC-AMINO-1-[2-AMINO-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHYL]-PYRROLIDINE
N-tert-Butyl-O-[1-[4-(chloromethyl)phenyl]ethyl]-N-(2-Methyl-1-phenylpropyl)hydroxylamine
(3-BOC-AMINO-AZETIDIN-1-YL)-NAPHTHALEN-2-YL-ACETICACID
C20H27N3O4 (373.20014620000006)
1-BOC-4-[CARBOXY-(1H-INDOL-2-YL)-METHYL]-[1,4]DIAZEPANE
C20H27N3O4 (373.20014620000006)
5-ISOPROPYL-1-(2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOXY)ETHYL)-1H-1,2,3-TRIAZOL-4-OL
C19H28BN3O4 (373.21727580000004)
(4-BENZOYL-PHENYL)-PHOSPHONICACIDDIETHYLESTER
C20H27N3O4 (373.20014620000006)
tert-Butyl (1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclobutyl)carbamate
tert-Butyl 5-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
C20H28BNO5 (373.20604280000003)
tert-butyl 4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylate
1H-Benzimidazole,2-[1-[[1-(phenylmethyl)-1H-tetrazol-5-yl]methyl]-4-piperidinyl]-(9CI)
tert-Butyl 2-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)acetate
tert-Butyl 7-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
C20H28BNO5 (373.20604280000003)
tert-Butyl 6-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
C20H28BNO5 (373.20604280000003)
disodium N-(2-carboxyethyl)-N-dodecyl-beta-alaninate
5-(3-((1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoyl)-1H-indol-1-yl)pentanoicacid
C20H27N3O4 (373.20014620000006)
2-[4-(1,2-diphenylbutyl)phenoxy]-N,N-dimethylethanamine
N-{(3s,4s)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N-(4-Chlorobenzyl)ethane-1,2-Diamine
C20H28ClN5 (373.20331180000005)
N-{(3r,4s)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N-(3-Chlorobenzyl)ethane-1,2-Diamine
C20H28ClN5 (373.20331180000005)
4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
(4R)-4-[(1Z,5E,7E,11S)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole
C23H35NOS (373.24392200000005)
N-[(2-hydroxy-1-naphthalenyl)-(4-methylphenyl)methyl]cyclohexanecarboxamide
O-dodecanedioylcarnitine
C19H35NO6 (373.24642500000004)
An O-acylcarnitine having 11-carboxyundecanoyl as the acyl substituent.
8-oxoresolvin D1(1-)
A polyunsaturated fatty acid anion that is the conjugate base of 8-oxoresolvin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3.
17-oxoresolvin D1(1-)
A polyunsaturated fatty acid that is the conjugate base of 17-oxoresolvin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3.
2-[(1-Tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-2-azaspiro[5.5]undecane
C20H31N5S (373.23000460000003)
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid
(2S,3R)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C21H31N3O3 (373.23652960000004)
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-2-(piperidine-1-carbonyl)-1-propanoyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
C20H27N3O4 (373.20014620000006)
(2R,3S)-8-(1-cyclohexenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C21H31N3O3 (373.23652960000004)
(2R,3S)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C21H31N3O3 (373.23652960000004)
(2S,3S,3aR,9bR)-1-(cyclohexylmethyl)-N-ethyl-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C21H31N3O3 (373.23652960000004)
1-[[(2R,3S,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-3-cyclopentyl-1-ethylurea
C21H31N3O3 (373.23652960000004)
(2R,3R,3aS,9bS)-1-(cyclohexylmethyl)-N-ethyl-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C21H31N3O3 (373.23652960000004)
1-[[(2S,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-3-cyclopentyl-1-ethylurea
C21H31N3O3 (373.23652960000004)
1-[[(2S,3R,4S)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-3-cyclopentyl-1-ethylurea
C21H31N3O3 (373.23652960000004)
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-2-[oxo(1-piperidinyl)methyl]-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
C20H27N3O4 (373.20014620000006)
14-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tetradecanoate
13-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxotridecanoate
(12R)-12-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxotridecanoate
(13R)-13-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxytetradecanoate
(3Z,5R)-3-[[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione
C22H31NO4 (373.22529660000004)
(1S,7R,8S,13R,16S)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-oxido-11-azoniahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one
C22H31NO4 (373.22529660000004)
(1S,7R,8S,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-oxido-11-azoniahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one
C22H31NO4 (373.22529660000004)
2-[[2-[(4-Amino-4-carboxybutanoyl)amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
2-Cyclohexyl-5-(2-(6-methyl-3-pyridyl)ethyl)-1,2,3,4-tetrahydro-gamma-carboline
(1S,2R,7R,8S,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-oxido-11-azoniahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one
C22H31NO4 (373.22529660000004)
(2S)-N-(5-aminopentyl)-2-[[2-(1H-indol-3-yl)acetyl]amino]butanediamide
O-(11-carboxyundecanoyl)carnitine
C19H35NO6 (373.24642500000004)
An O-acylcarnitine having 11-carboxyundecanoyl as the acyl substituent.
7-oxoresolvin D2(1-)
A docosanoid anion that is the conjugate base of 7-oxoresolvin D2, obtained by deprotonation of the carboxy group; major species at pH 7.3.
16-oxoresolvin D2(1-)
A docosanoid anion that is the conjugate base of 16-oxoresolvin D2, obtained by deprotonation of the carboxy group; major species at pH 7.3.
O-dodecadienoyl-L-carnitine
C19H35NO6 (373.24642500000004)
An O-acyl-L-carnitine that is L-carnitine having a dodecadienoyl group as the acyl substituent in which the positions of the two double bonds are unspecified.
oscr#24(1-)
A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#24, obtained by deprotonation of the carboxy group; major species at pH 7.3.
ARN22089
ARN22089 is a oral active novel class of trisubstituted pyrimidine, blocks the interaction of CDC42 GTPases with specific downstream effectors. ARN22089 blocks tumor growth in BRAF mutant mouse melanoma model[1].
(4s)-4-[(1z,5e,7e,11r)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraen-1-yl]-2-[(1r,2s)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole
C23H35NOS (373.24392200000005)
8,11-dihydroxy-7-(hydroxymethyl)-6,13-dimethyl-7-azapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-14,17-dien-16-one
C22H31NO4 (373.22529660000004)
methyl 3-[(2s,3r,8r,11s,12r,15r,16s)-12-(hydroxymethyl)-16-methyl-1-azapentacyclo[9.6.1.0²,¹⁵.0³,¹².0⁴,⁸]octadec-4-en-3-yl]propanoate
C23H35NO3 (373.26168000000007)
2-(11-hydroxy-11-methyldodecyl)-3-methoxy-3h-quinolin-4-one
C23H35NO3 (373.26168000000007)
(3e,5s)-3-{[(1r,2r,4ar,6r,8ar)-1,6-dimethyl-2-[(1e)-prop-1-en-1-yl]-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl](hydroxy)methylidene}-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione
C22H31NO4 (373.22529660000004)
(3s,6s,11ar)-1,4-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)-3h,6h,9h,10h,11h,11ah-pyrrolo[1,2-a][1,4,7]triazonin-7-one
C20H27N3O4 (373.20014620000006)
(1s,2r,4s,9s,10r)-3-hydroxy-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 1h-pyrrole-2-carboxylate
C20H27N3O4 (373.20014620000006)
13-hydroxy-n-(1-hydroxypropan-2-yl)-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenimidic acid
C23H35NO3 (373.26168000000007)
(2s)-n-[(2s)-1-(1h-indol-3-yl)-3-[(2-methylpropanoyl)oxy]propan-2-yl]-3-methyl-2-(methylamino)butanimidic acid
C21H31N3O3 (373.23652960000004)
dimethylamino (4ar,10as)-7-isopropyl-6-methoxy-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate
C23H35NO3 (373.26168000000007)
(4r)-4-[(1z,5z,7z,11r)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraen-1-yl]-2-[(1r,2s)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole
C23H35NOS (373.24392200000005)
2-(12-hydroxytridecyl)-3-methoxy-3h-quinolin-4-one
C23H35NO3 (373.26168000000007)
methyl 3-[(2s,7s,10r,11r,12r,15s,16r,18r)-11-hydroxy-11,16-dimethyl-1-azapentacyclo[10.5.1.0²,¹⁰.0³,⁷.0¹⁵,¹⁸]octadec-3-en-12-yl]propanoate
C23H35NO3 (373.26168000000007)
(2e,4e,6z,8e,10e,12r,13r,14e)-13-hydroxy-n-[(2s)-1-hydroxypropan-2-yl]-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenimidic acid
C23H35NO3 (373.26168000000007)
16-hydroxy-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 1h-pyrrole-2-carboxylate
C20H27N3O4 (373.20014620000006)
(1r,2s,4s,9r,10r,12s)-12-hydroxy-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 1h-pyrrole-2-carboxylate
C20H27N3O4 (373.20014620000006)
n-[(1s,4s,9r,10s)-5-acetyl-9-[(2z)-hex-2-en-1-yl]-9-hydroxy-10-methyl-5,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-6,8(12)-dien-6-yl]ethanimidic acid
C21H31N3O3 (373.23652960000004)
(2-{2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxyphenyl}ethyl)dimethylamine
C22H31NO4 (373.22529660000004)
(1s,2s,4r,5s,7r,12r,16s)-14-ethyl-5,16-dimethoxy-12-methyl-14-azapentacyclo[10.3.3.1⁴,⁷.0¹,¹¹.0²,⁷]nonadec-10-en-19-one
C23H35NO3 (373.26168000000007)
(1'r,3s,3's,7's,12's)-1,4',4',12',14'-pentamethyl-9',14'-diazaspiro[pyrrolidine-3,5'-tetracyclo[5.5.2.0¹,⁹.0³,⁷]tetradecane]-2,5,10',13'-tetrone
C20H27N3O4 (373.20014620000006)
2-[(10r)-10-hydroxy-10-methyldodecyl]-3-methoxy-1h-quinolin-4-one
C23H35NO3 (373.26168000000007)
(1r,2r,3s,4s,9r,10s)-3-hydroxy-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 1h-pyrrole-2-carboxylate
C20H27N3O4 (373.20014620000006)
(1r,2s,4r,9s,10r,16s)-16-hydroxy-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 1h-pyrrole-2-carboxylate
C20H27N3O4 (373.20014620000006)
(1r,3r,4r,10s,14s,15r,18r,19s)-19-hydroxy-18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icos-7(20)-ene-3-carboxylic acid
C22H31NO4 (373.22529660000004)
n-[5-acetyl-9-(hex-2-en-1-yl)-9-hydroxy-10-methyl-5,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-6,8(12)-dien-6-yl]ethanimidic acid
C21H31N3O3 (373.23652960000004)
(4r)-4-[(5e,7e,11r)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraen-1-yl]-2-[(1r,2s)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole
C23H35NOS (373.24392200000005)
3-hydroxy-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 1h-pyrrole-2-carboxylate
C20H27N3O4 (373.20014620000006)
19-hydroxy-18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icos-7(20)-ene-3-carboxylic acid
C22H31NO4 (373.22529660000004)
(1's,3r,3'r,7'r,12'r)-1,4',4',12',14'-pentamethyl-9',14'-diazaspiro[pyrrolidine-3,5'-tetracyclo[5.5.2.0¹,⁹.0³,⁷]tetradecane]-2,5,10',13'-tetrone
C20H27N3O4 (373.20014620000006)
(1r,4r)-1-[(2s)-butan-2-yl]-3-hydroxy-4-isopropyl-1,8-dimethoxy-4h-pyrazino[2,1-b]quinazolin-6-one
C20H27N3O4 (373.20014620000006)
(1r,5s,6r,11r,12r,14r,15s,17r,20r,21r)-15,21-dihydroxy-5,15-dimethyl-7-oxa-10-azaheptacyclo[12.6.2.0¹,¹¹.0⁵,²⁰.0⁶,¹⁰.0¹²,¹⁷.0¹⁷,²¹]docosan-19-one
C22H31NO4 (373.22529660000004)
(1s,2s,4s,9s,10r,12s)-12-hydroxy-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 1h-pyrrole-2-carboxylate
C20H27N3O4 (373.20014620000006)
(7a-methyl-hexahydropyrrolizin-1-yl)methyl 4-hydroxy-3-methoxy-5-(3-methylbut-2-en-1-yl)benzoate
C22H31NO4 (373.22529660000004)
(1r,5r,8r,10s,11r,14s,16s,17s,18r)-18-hydroxy-7-(2-hydroxyethyl)-5-methyl-13-methylidene-9-oxa-7-azahexacyclo[8.6.2.2¹¹,¹⁴.0¹,⁸.0⁵,¹⁷.0¹¹,¹⁶]icosan-6-one
C22H31NO4 (373.22529660000004)
(4r)-4-[(1z,5e,7z,11r)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraen-1-yl]-2-[(1r,2s)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole
C23H35NOS (373.24392200000005)
3,9-dihydroxy-5-methyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate
C22H31NO4 (373.22529660000004)
3-{[1,6-dimethyl-2-(prop-1-en-1-yl)-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl](hydroxy)methylidene}-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione
C22H31NO4 (373.22529660000004)
(1r,2r,7r,9r,10r,13r,16s,17r)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-4-oxo-11-azahexacyclo[7.7.2.1⁵,⁸.0¹,¹⁰.0²,⁸.0¹³,¹⁷]nonadecan-11-ium-11-olate
C22H31NO4 (373.22529660000004)
(4z)-4-{[(1s,2r,4as,6r,8ar)-1,6-dimethyl-2-[(1e)-prop-1-en-1-yl]-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl](hydroxy)methylidene}-5-hydroxy-2-(1-hydroxyethyl)-2h-pyrrol-3-one
C22H31NO4 (373.22529660000004)
[(1s,7ar)-7a-methyl-hexahydropyrrolizin-1-yl]methyl 4-hydroxy-3-methoxy-5-(3-methylbut-2-en-1-yl)benzoate
C22H31NO4 (373.22529660000004)
6,8-dihydroxy-11-methyl-5-methylidene-16-oxa-13-azahexacyclo[9.6.3.2⁴,⁷.0¹,¹⁰.0²,⁷.0¹³,¹⁷]docosan-12-one
C22H31NO4 (373.22529660000004)
(1s,2s,5s,6s,8s,9r,11r,12s,13r)-8,11-dihydroxy-7-(hydroxymethyl)-6,13-dimethyl-7-azapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-14,17-dien-16-one
C22H31NO4 (373.22529660000004)
(2s)-4-[(1s,2r,4as,6r,8ar)-1,6-dimethyl-2-[(1e)-prop-1-en-1-yl]-4a,5,6,7,8,8a-hexahydro-2h-naphthalene-1-carbonyl]-5-hydroxy-2-(hydroxymethyl)-1-methyl-2h-pyrrol-3-one
C22H31NO4 (373.22529660000004)
18-hydroxy-7-(2-hydroxyethyl)-5-methyl-13-methylidene-9-oxa-7-azahexacyclo[8.6.2.2¹¹,¹⁴.0¹,⁸.0⁵,¹⁷.0¹¹,¹⁶]icosan-6-one
C22H31NO4 (373.22529660000004)
(2s,4z)-4-{[(1r,2r,4ar,6r,8ar)-1,6-dimethyl-2-[(1e)-prop-1-en-1-yl]-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl](hydroxy)methylidene}-5-hydroxy-2-[(1r)-1-hydroxyethyl]-2h-pyrrol-3-one
C22H31NO4 (373.22529660000004)
4-(11-methoxy-8-methyltetradeca-1,5,7,13-tetraen-1-yl)-2-(2-methylcyclopropyl)-4,5-dihydro-1,3-thiazole
C23H35NOS (373.24392200000005)
15,21-dihydroxy-5,15-dimethyl-7-oxa-10-azaheptacyclo[12.6.2.0¹,¹¹.0⁵,²⁰.0⁶,¹⁰.0¹²,¹⁷.0¹⁷,²¹]docosan-19-one
C22H31NO4 (373.22529660000004)
(3e,5s)-3-{[(1s,2r,4as,6r,8ar)-1,6-dimethyl-2-[(1e)-prop-1-en-1-yl]-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl](hydroxy)methylidene}-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione
C22H31NO4 (373.22529660000004)
1,4',4',12',14'-pentamethyl-9',14'-diazaspiro[pyrrolidine-3,5'-tetracyclo[5.5.2.0¹,⁹.0³,⁷]tetradecane]-2,5,10',13'-tetrone
C20H27N3O4 (373.20014620000006)
(3z,5s)-3-{[(1s,2r,4as,6r,8ar)-1,6-dimethyl-2-[(1e)-prop-1-en-1-yl]-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl](hydroxy)methylidene}-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione
C22H31NO4 (373.22529660000004)
(1s,2r,3s,4s,9s,10r)-3-hydroxy-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 1h-pyrrole-2-carboxylate
C20H27N3O4 (373.20014620000006)
(1s,5s,6s,11r,12s,14s,15s,17s,20s,21s)-15,21-dihydroxy-5,15-dimethyl-7-oxa-10-azaheptacyclo[12.6.2.0¹,¹¹.0⁵,²⁰.0⁶,¹⁰.0¹²,¹⁷.0¹⁷,²¹]docosan-19-one
C22H31NO4 (373.22529660000004)
(4r)-4-[(1z,5e,7e,11r)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraen-1-yl]-2-[(2s)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole
C23H35NOS (373.24392200000005)
(3e,5s)-3-{[(1r,2s,4as,6s,8as)-1,6-dimethyl-2-[(1e)-prop-1-en-1-yl]-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl](hydroxy)methylidene}-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione
C22H31NO4 (373.22529660000004)
4-{[1,6-dimethyl-2-(prop-1-en-1-yl)-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl](hydroxy)methylidene}-5-hydroxy-2-(1-hydroxyethyl)-2h-pyrrol-3-one
C22H31NO4 (373.22529660000004)