Exact Mass: 537.3063374
Exact Mass Matches: 537.3063374
Found 500 metabolites which its exact mass value is equals to given mass value 537.3063374
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cholylglutamic acid
Cholylglutamic acid belongs to a class of molecules known as bile acid-amino acid conjugates. These are bile acid conjugates that consist of a primary bile acid such as cholic acid, doxycholic acid and chenodeoxycholic acid, conjugated to an amino acid. Cholylglutamic acid consists of the bile acid cholic acid conjugated to the amino acid Glutamic acid conjugated at the C24 acyl site.Bile acids play an important role in regulating various physiological systems, such as fat digestion, cholesterol metabolism, vitamin absorption, liver function, and enterohepatic circulation through their combined signaling, detergent, and antimicrobial mechanisms (PMID: 34127070). Bile acids also act as detergents in the gut and support the absorption of fats through the intestinal membrane. These same properties allow for the disruption of bacterial membranes, thereby allowing them to serve a bacteriocidal or bacteriostatic function. In humans (and other mammals) bile acids are normally conjugated with the amino acids glycine and taurine by the liver. This conjugation catalyzed by two liver enzymes, bile acid CoA ligase (BAL) and bile acid CoA: amino acid N-acyltransferase (BAT). Glycine and taurine bound BAs are also referred to as bile salts due to their decreased pKa and complete ionization resulting in these compounds being present as anions in vivo. Unlike glycine and taurine-conjugated bile acids, these recently discovered bile acids, such as Cholylglutamic acid, are produced by the gut microbiota, making them secondary bile acids (PMID: 32103176) or microbially conjugated bile acids (MCBAs) (PMID: 34127070). Evidence suggests that these bile acid-amino acid conjugates are produced by microbes belonging to Clostridia species (PMID: 32103176). These unusual bile acid-amino acid conjugates are found in higher frequency in patients with inflammatory bowel disease (IBD), cystic fibrosis (CF) and in infants (PMID: 32103176). Cholylglutamic acid appears to act as an agonist for the farnesoid X receptor (FXR) and it can also lead to reduced expression of bile acid synthesis genes (PMID: 32103176). It currently appears that microbially conjugated bile acids (MCBAs) or amino acid-bile acid conjugates are only conjugated to cholic acid, deoxycholic acid and chenodeoxycholic acid (PMID: 34127070). It has been estimated that if microbial conjugation of bile acids is very promiscuous and occurs for all potential oxidized, epimerized, and dehydroxylated states of each hydroxyl group present on cholic acid (C3, C7, C12) in addition to ring orientation, the total number of potential human bile acid conjugates could be over 2800 (PMID: 34127070).
Ile Cys Phe Arg
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Ile Cys Arg Phe
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PC(16:0/2:0)[S]
PC(16:0/2:0)[U]
Dinonylphosphatidylcholine
PC(2:0/16:0)
PE(10:0/11:0)[U]
1-O-Palmitoyl-2-O-acetyl-sn-glycero-3-phosphorylcholine
N-dodecanoyl-L-HSL-3-hydrazone-biotin
Sodium taurocholate
C26H44NNaO7S (537.2736034000001)
D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids D013501 - Surface-Active Agents > D003902 - Detergents Emulsifier in foods Taurocholic acid sodium (Sodium taurocholate; N-Choloyltaurine sodium) has marked bioactive effects such as an inhibitory potential against hepatic artery ligation induced biliary damage by upregulation of VEGF-A expression. Immunoregulation effect[1]. Taurocholic acid sodium (Sodium taurocholate; N-Choloyltaurine sodium) has marked bioactive effects such as an inhibitory potential against hepatic artery ligation induced biliary damage by upregulation of VEGF-A expression. Immunoregulation effect[1].
9,10-dihydro-9,9-dimethyl-10-phenyl-2,7-bis(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine
C33H41B2NO4 (537.3221526000001)
(2-Acetyloxy-3-hexadecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
4-[[9-(4-hydroxycyclohexyl)-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide
N-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
(2R)-2-hydroxy-3-{[(9Z)-11-hydroxyoctadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
(2R)-2-hydroxy-3-({8-[(2S,3R)-3-octyloxiran-2-yl]octanoyl}oxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
(2R)-2-hydroxy-3-({8-[(2R,3S)-3-octyloxiran-2-yl]octanoyl}oxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
(2R)-2-hydroxy-3-{[(9Z)-8-hydroxyoctadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
N-[(5S,6S,9R)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]oxane-4-carboxamide
N-[(5R,6R,9R)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]oxane-4-carboxamide
N-[(5R,6R,9S)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-tetrazolyl)acetamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
N-[(2R,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-tetrazolyl)acetamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide
(1R)-N1-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N2-propylspiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]-1,2-dicarboxamide
N-[(2R,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-tetrazolyl)acetamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-tetrazolyl)acetamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-tetrazolyl)acetamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-tetrazolyl)acetamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-tetrazolyl)acetamide
1-cyclohexyl-3-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-tetrazolyl)acetamide
1-cyclohexyl-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
N-[(5R,6S,9R)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
N-[(5S,6R,9S)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
N-[(5S,6R,9R)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
N-[(5S,6S,9S)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
(1S)-N1-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N2-propylspiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]-1,2-dicarboxamide
2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methylpentanoic acid
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-octanoyloxypropan-2-yl] tridecanoate
2-amino-3-[hydroxy-[2-hydroxy-3-[(Z)-nonadec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
C25H48NO9P (537.3066527999999)
2,3-Di(nonanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-nonanoyloxypropan-2-yl] dodecanoate
2-amino-3-[hydroxy-[2-[(Z)-pentadec-9-enoyl]oxy-3-propanoyloxypropoxy]phosphoryl]oxypropanoic acid
2-amino-3-[[3-butanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
2-amino-3-[hydroxy-[3-pentanoyloxy-2-[(Z)-tridec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-decanoyloxypropan-2-yl] undecanoate
(3-Acetyloxy-2-hexadecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-decanoyloxypropan-2-yl] undecanoate
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-decanoyloxypropyl] undecanoate
(3-Butanoyloxy-2-tetradecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] pentadecanoate
(2-Decanoyloxy-3-octanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
(3-Pentanoyloxy-2-tridecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
[1-Acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonadecanoate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-butanoyloxypropan-2-yl] heptadecanoate
3-[[3-acetyloxy-2-[(Z)-hexadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-aminopropanoic acid
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] tetradecanoate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] octadecanoate
(3-Heptanoyloxy-2-undecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] hexadecanoate
(2-Dodecanoyloxy-3-hexanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
(2-Pentadecanoyloxy-3-propanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
1-Palmitoyl-2-acetyl-sn-glycero-3-phosphocholine
A 1,2-diacyl-sn-glycero-3-phosphocholine in which the two acyl substituents at positions 1 and 2 are specified as palmitoyl and acetyl respectively.
1-acetyl-2-hexadecanoyl-sn-glycero-3-phosphocholine
1-(9Z-nonadecenoyl)-glycero-3-phosphoserine
C25H48NO9P (537.3066527999999)
2-[(9Z)-12-hydroxyoctadec-9-enoyl]-sn-glycero-3-phosphocholine
A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as (9Z)-12-hydroxyoctadec-9-enoyl.
ricinoleoyl-sn-glycero-3-phosphocholine
A lysophosphatidylcholine in which the acyl group (position not specified) is (9Z)-12-hydroxyoctadec-9-enoyl. Formula:C26H52NO8P.
phosphatidylethanolamine 21:0 zwitterion
A 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion in which the two acyl groups contain a total of 21 carbons and no double bonds.
phosphatidylcholine 18:0
A 1,2-diacyl-sn-glycero-3-phosphocholine in which the two acyl groups contain a total of 18 carbons and no double bonds.
1-O-[(9S,10R)-epoxystearoyl]-sn-glycero-3-phosphocholine
An lysophosphatidylcholine derived from epoxidation across the double bond of 1-O-oleoyl-sn-glycero-3-phosphocholine.
1-O-[(9R,10S)-epoxystearoyl]-sn-glycero-3-phosphocholine
An lysophosphatidylcholine derived from epoxidation across the double bond of 1-O-oleoyl-sn-glycero-3-phosphocholine.
1-O-(8-hydroxyoleoyl)-sn-glycero-3-phosphocholine
A 1-O-acyl-sn-glycero-3-phosphocholine obtained by hydroxylation at position 8 of 1-O-oleoyl-sn-glycero-3-phosphocholine.
1-O-(11-hydroxyoleoyl)-sn-glycero-3-phosphocholine
A 1-O-acyl-sn-glycero-3-phosphocholine obtained by hydroxylation at position 11 of 1-O-oleoyl-sn-glycero-3-phosphocholine.
MePC(17:0)
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