Exact Mass: 545.3940846
Exact Mass Matches: 545.3940846
Found 156 metabolites which its exact mass value is equals to given mass value 545.3940846,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
LysoPC(20:3(5Z,8Z,11Z)/0:0)
C28H52NO7P (545.3481211999999)
LysoPC(20:3(5Z,8Z,11Z)) is a lysophospholipid (LyP). It is a monoglycerophospholipid in which a phosphorylcholine moiety occupies a glycerol substitution site. Lysophosphatidylcholines can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) position. Fatty acids containing 16, 18 and 20 carbons are the most common. LysoPC(20:3(5Z,8Z,11Z)), in particular, consists of one chain of mead acid at the C-1 position. The mead acid moiety is derived from fish oils, liver and kidney. Lysophosphatidylcholine is found in small amounts in most tissues. It is formed by hydrolysis of phosphatidylcholine by the enzyme phospholipase A2, as part of the de-acylation/re-acylation cycle that controls its overall molecular species composition. It can also be formed inadvertently during extraction of lipids from tissues if the phospholipase is activated by careless handling. In blood plasma significant amounts of lysophosphatidylcholine are formed by a specific enzyme system, lecithin:cholesterol acyltransferase (LCAT), which is secreted from the liver. The enzyme catalyzes the transfer of the fatty acids of position sn-2 of phosphatidylcholine to the free cholesterol in plasma, with formation of cholesterol esters and lysophosphatidylcholine. Lysophospholipids have a role in lipid signaling by acting on lysophospholipid receptors (LPL-R). LPL-Rs are members of the G protein-coupled receptor family of integral membrane proteins.
LysoPC(20:3(8Z,11Z,14Z)/0:0)
C28H52NO7P (545.3481211999999)
LysoPC(20:3(8Z,11Z,14Z)) is a lysophospholipid (LyP). It is a monoglycerophospholipid in which a phosphorylcholine moiety occupies a glycerol substitution site. Lysophosphatidylcholines can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) position. Fatty acids containing 16, 18 and 20 carbons are the most common. LysoPC(20:3(8Z,11Z,14Z)), in particular, consists of one chain of homo-g-linolenic acid at the C-1 position. The homo-g-linolenic acid moiety is derived from fish oils, liver and kidney. Lysophosphatidylcholine is found in small amounts in most tissues. It is formed by hydrolysis of phosphatidylcholine by the enzyme phospholipase A2, as part of the de-acylation/re-acylation cycle that controls its overall molecular species composition. It can also be formed inadvertently during extraction of lipids from tissues if the phospholipase is activated by careless handling. In blood plasma significant amounts of lysophosphatidylcholine are formed by a specific enzyme system, lecithin:cholesterol acyltransferase (LCAT), which is secreted from the liver. The enzyme catalyzes the transfer of the fatty acids of position sn-2 of phosphatidylcholine to the free cholesterol in plasma, with formation of cholesterol esters and lysophosphatidylcholine. Lysophospholipids have a role in lipid signaling by acting on lysophospholipid receptors (LPL-R). LPL-Rs are members of the G protein-coupled receptor family of integral membrane proteins.
Cholylhistidine
Cholylhistidine 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. Cholylhistidine consists of the bile acid cholic acid conjugated to the amino acid Histidine 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 Cholylhistidine, 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). Cholylhistidine 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).
1-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphocholine
C28H52NO7P (545.3481211999999)
PC(20:3(8Z,11Z,14Z)/0:0)
C28H52NO7P (545.3481211999999)
4-Hydroxy-3-all-trans-hexaprenylbenzoate
A 4-hydroxy-3-polyprenylbenzoate in which the polyprenyl chain contains 6 prenyl units; major species at pH 7.3.
4-amino-3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]benzoic acid
N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
N-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
N-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
N-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
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-8-yl]-4-(dimethylamino)butanamide
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-8-yl]-4-(dimethylamino)butanamide
N-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
N-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
N-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
N-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
N-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
N-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
N-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
N-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
N-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
N-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
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-8-yl]-4-(dimethylamino)butanamide
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-8-yl]-4-(dimethylamino)butanamide
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-8-yl]-4-(dimethylamino)butanamide
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-8-yl]-4-(dimethylamino)butanamide
[2-hydroxy-3-[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
C28H52NO7P (545.3481211999999)
[2-butanoyloxy-3-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
C28H52NO7P (545.3481211999999)
2-(3-Octanoyloxy-2-undecanoyloxypropoxy)-2-[2-(trimethylazaniumyl)ethoxy]acetate
2-(2-Decanoyloxy-3-nonanoyloxypropoxy)-2-[2-(trimethylazaniumyl)ethoxy]acetate
(E)-3-hydroxy-2-[[(Z)-2-hydroxyhexadec-7-enoyl]amino]tridec-4-ene-1-sulfonic acid
(E)-3-hydroxy-2-[[(Z)-2-hydroxyoctadec-11-enoyl]amino]undec-4-ene-1-sulfonic acid
(4E,8E)-3-hydroxy-2-(2-hydroxyheptadecanoylamino)dodeca-4,8-diene-1-sulfonic acid
3-hydroxy-2-[[(10Z,12Z)-2-hydroxyoctadeca-10,12-dienoyl]amino]undecane-1-sulfonic acid
(E)-3-hydroxy-2-[[(Z)-2-hydroxytetradec-9-enoyl]amino]pentadec-4-ene-1-sulfonic acid
(4E,8E)-3-hydroxy-2-(2-hydroxytridecanoylamino)hexadeca-4,8-diene-1-sulfonic acid
(4E,8E)-3-hydroxy-2-(2-hydroxyhexadecanoylamino)trideca-4,8-diene-1-sulfonic acid
(E)-3-hydroxy-2-[[(Z)-2-hydroxydodec-5-enoyl]amino]heptadec-4-ene-1-sulfonic acid
(4E,8E)-3-hydroxy-2-(2-hydroxytetradecanoylamino)pentadeca-4,8-diene-1-sulfonic acid
3-hydroxy-2-[[(4Z,7Z)-2-hydroxyhexadeca-4,7-dienoyl]amino]tridecane-1-sulfonic acid
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoxy]propan-2-yl] heptanoate
C28H52NO7P (545.3481211999999)
(4E,8E)-3-hydroxy-2-(2-hydroxypentadecanoylamino)tetradeca-4,8-diene-1-sulfonic acid
(4E,8E)-3-hydroxy-2-(2-hydroxydodecanoylamino)heptadeca-4,8-diene-1-sulfonic acid
(E)-3-hydroxy-2-[[(Z)-2-hydroxytridec-8-enoyl]amino]hexadec-4-ene-1-sulfonic acid
(E)-3-hydroxy-2-[[(Z)-2-hydroxynonadec-9-enoyl]amino]dec-4-ene-1-sulfonic acid
(E)-3-hydroxy-2-[[(Z)-2-hydroxypentadec-9-enoyl]amino]tetradec-4-ene-1-sulfonic acid
(E)-3-hydroxy-2-(octadecanoylamino)dodec-4-ene-1-sulfonic acid
2-[[(Z)-heptadec-9-enoyl]amino]-3-hydroxytridecane-1-sulfonic acid
(E)-2-(dodecanoylamino)-3-hydroxyoctadec-4-ene-1-sulfonic acid
(E)-3-hydroxy-2-(icosanoylamino)dec-4-ene-1-sulfonic acid
(E)-3-hydroxy-2-(tridecanoylamino)heptadec-4-ene-1-sulfonic acid
2-[[(Z)-hexadec-9-enoyl]amino]-3-hydroxytetradecane-1-sulfonic acid
3-hydroxy-2-[[(Z)-icos-11-enoyl]amino]decane-1-sulfonic acid
(E)-2-(hexadecanoylamino)-3-hydroxytetradec-4-ene-1-sulfonic acid
(E)-2-(heptadecanoylamino)-3-hydroxytridec-4-ene-1-sulfonic acid
(E)-3-hydroxy-2-(pentadecanoylamino)pentadec-4-ene-1-sulfonic acid
3-hydroxy-2-[[(Z)-tetradec-9-enoyl]amino]hexadecane-1-sulfonic acid
3-hydroxy-2-[[(Z)-nonadec-9-enoyl]amino]undecane-1-sulfonic acid
(E)-3-hydroxy-2-(nonadecanoylamino)undec-4-ene-1-sulfonic acid
3-hydroxy-2-[[(Z)-pentadec-9-enoyl]amino]pentadecane-1-sulfonic acid
(E)-2-(decanoylamino)-3-hydroxyicos-4-ene-1-sulfonic acid
3-hydroxy-2-[[(Z)-tridec-9-enoyl]amino]heptadecane-1-sulfonic acid
3-hydroxy-2-[[(Z)-octadec-9-enoyl]amino]dodecane-1-sulfonic acid
(E)-3-hydroxy-2-(undecanoylamino)nonadec-4-ene-1-sulfonic acid
(E)-3-hydroxy-2-(tetradecanoylamino)hexadec-4-ene-1-sulfonic acid
[2-acetyloxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
C28H52NO7P (545.3481211999999)
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(11Z,14Z,17Z)-icosa-11,14,17-trienoxy]propan-2-yl] propanoate
C28H52NO7P (545.3481211999999)
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoxy]propan-2-yl] pentanoate
C28H52NO7P (545.3481211999999)
[(2R)-2-hydroxy-3-[(8E,11E,14E)-icosa-8,11,14-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
C28H52NO7P (545.3481211999999)
[(2R)-2-hydroxy-3-[(5E,8E,11E)-icosa-5,8,11-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
C28H52NO7P (545.3481211999999)
2-[[(4E,8E,12E)-2-(hexanoylamino)-3-hydroxyheptadeca-4,8,12-trienoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(4E,8E,12E)-3-hydroxy-2-(octanoylamino)pentadeca-4,8,12-trienoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(4E,8E,12E)-3-hydroxy-2-(pentanoylamino)octadeca-4,8,12-trienoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(4E,8E,12E)-3-hydroxy-2-(propanoylamino)icosa-4,8,12-trienoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(4E,8E,12E)-3-hydroxy-2-(nonanoylamino)tetradeca-4,8,12-trienoxy]phosphoryl]oxyethyl-trimethylazanium
2-[[(4E,8E,12E)-2-(heptanoylamino)-3-hydroxyhexadeca-4,8,12-trienoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[(4E,8E,12E)-2-acetamido-3-hydroxyhenicosa-4,8,12-trienoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[(4E,8E,12E)-2-(butanoylamino)-3-hydroxynonadeca-4,8,12-trienoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
1-Meadoyl-sn-glycero-3-phosphocholine
C28H52NO7P (545.3481211999999)
A lysophosphatidylcholine 20:3 in which the acyl group at position 1 is (5Z,8Z,11Z)-icosatrienoyl (meadoyl) and the hydroxy group at position 2 is unsubstituted.
1-[(8Z,11Z,14Z)-icosatrienoyl]-sn-glycero-3-phosphocholine
C28H52NO7P (545.3481211999999)
A lysophosphatidylcholine 20:3/0:0 in which the acyl group at position 1 is specified as (8Z,11Z,14Z)-icosatrienoyl.
lysophosphatidylcholine (0:0/20:3)
C28H52NO7P (545.3481211999999)
A lysophosphatidylcholine 20:3 in which the acyl group is located at position 2.
lysophosphatidylcholine 20:3
C28H52NO7P (545.3481211999999)
A lysophosphatidylcholine in which the acyl group contains 20 carbons with 3 double bonds. If R1 is an acyl group and R2 is a hydrogen then the molecule is a 1-acyl-sn-glycero-3-phosphocholine. If R1 is a hydrogen and R2 is an acyl group then the molecule is a 2-acyl-sn-glycero-3-phosphocholine.
lysophosphatidylcholine 20:3/0:0
C28H52NO7P (545.3481211999999)
A 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group at C-1 contains 20 carbons and 3 double bonds.
MePC(19:3)
C28H52NO7P (545.3481211999999)
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