Exact Mass: 549.343
Exact Mass Matches: 549.343
Found 273 metabolites which its exact mass value is equals to given mass value 549.343,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
LysoPC(20:1(11Z)/0:0)
LysoPC(20:1(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(20:1(11Z)), in particular, consists of one chain of eicosenoic acid at the C-1 position. The eicosenoic acid moiety is derived from vegetable oils and cod oils. 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. [HMDB] LysoPC(20:1(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(20:1(11Z)), in particular, consists of one chain of eicosenoic acid at the C-1 position. The eicosenoic acid moiety is derived from vegetable oils and cod oils. 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.
PC(18:1(9Z)e/2:0)
2-Acetyl-1-(9Z-octadecenyl)-sn-glycero-3-phosphocholine is an intermediate in ether lipid metabolism. 2-Acetyl-1-(9Z-octadecenyl)-sn-glycero-3-phosphocholine is converted from 2-acetyl-1-octadecyl-sn-glycerol via diacylglycerol cholinephosphotransferase (EC: 2.7.8.2). This is an ether lipid with platelet-activating factor functions which has an acetyl group instead of an acyl chain at the second position (SN-2). Ether lipids are lipids in which one or more of the carbon atoms on glycerol is bonded to an alkyl chain via an ether linkage, as opposed to the usual ester linkage.While most phospholipids have a saturated fatty acid on C-1 and an unsaturated fatty acid on C-2 of the glycerol backbone, the fatty acid distribution at the C-1 and C-2 positions of glycerol within phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. PCs can be synthesized via three different routes. In one route, choline is activated first by phosphorylation and then by coupling to CDP prior to attachment to phosphatidic acid. PCs can also synthesized by the addition of choline to CDP-activated 1,2-diacylglycerol. A third route to PC synthesis involves the conversion of either PS or PE to PC. 2-Acetyl-1-(9Z-octadecenyl)-sn-glycero-3-phosphocholine is an intermediate in ether lipid metabolism. 2-Acetyl-1-(9Z-octadecenyl)-sn-glycero-3-phosphocholine is converted from 2-acetyl-1-octadecyl-sn-glycerol via diacylglycerol cholinephosphotransferase (EC: 2.7.8.2). This is an ether lipid with platelet-activating factor functions which has an acetyl group instead of an acyl chain at the second position (SN-2). Ether lipids are lipids in which one or more of the carbon atoms on glycerol is bonded to an alkyl chain via an ether linkage, as opposed to the usual ester linkage.
Chenodeoxycholylcitrulline
Chenodeoxycholylcitrulline 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. Chenodeoxycholylcitrulline consists of the bile acid chenodeoxycholic acid conjugated to the amino acid Citrulline 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 Chenodeoxycholylcitrulline, 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). Chenodeoxycholylcitrulline 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).
Deoxycholylcitrulline
Deoxycholylcitrulline 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. Deoxycholylcitrulline consists of the bile acid deoxycholic acid conjugated to the amino acid Citrulline 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 Deoxycholylcitrulline, 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). Deoxycholylcitrulline 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-(9Z-Eicosenoyl)-sn-glycero-3-phosphocholine
Dhesn
Retinoyl-AZT
Val-Tyr-Leu-Arg
Phe Lys Gln Lys
Ile Tyr Val Arg
Pyrrolidino PAF C-16
Phe Lys Lys Lys
Phe Lys Lys Gln
Phe Gln Lys Lys
Phe Val Val Trp
Phe Val Trp Val
Phe Trp Val Val
Ile Arg Val Tyr
Ile Arg Tyr Val
Ile Val Arg Tyr
Ile Val Tyr Arg
Ile Tyr Arg Val
Lys Phe Lys Lys
Lys Phe Lys Gln
Lys Phe Gln Lys
Lys Lys Phe Lys
Lys Lys Phe Gln
Lys Lys Lys Phe
Lys Lys Gln Phe
Lys Gln Phe Lys
Lys Gln Lys Phe
Leu Arg Val Tyr
Leu Arg Tyr Val
Leu Val Arg Tyr
Leu Val Tyr Arg
Leu Tyr Arg Val
Leu Tyr Val Arg
Gln Phe Lys Lys
Gln Lys Phe Lys
Gln Lys Lys Phe
Arg Ile Val Tyr
Arg Ile Tyr Val
Arg Leu Val Tyr
Arg Leu Tyr Val
Arg Val Ile Tyr
Arg Val Leu Tyr
Arg Val Tyr Ile
Arg Val Tyr Leu
Arg Tyr Ile Val
Arg Tyr Leu Val
Arg Tyr Val Ile
Arg Tyr Val Leu
Val Phe Val Trp
Val Phe Trp Val
Val Ile Arg Tyr
Val Ile Tyr Arg
Val Leu Arg Tyr
Val Leu Tyr Arg
Val Arg Ile Tyr
Val Arg Leu Tyr
Val Arg Tyr Ile
Val Arg Tyr Leu
Val Val Phe Trp
Val Val Trp Phe
Val Trp Phe Val
Val Trp Val Phe
Val Tyr Ile Arg
Val Tyr Leu Arg
Val Tyr Arg Ile
Val Tyr Arg Leu
Trp Phe Val Val
Trp Val Phe Val
Trp Val Val Phe
Tyr Ile Arg Val
Tyr Ile Val Arg
Tyr Leu Arg Val
Tyr Leu Val Arg
Tyr Arg Ile Val
Tyr Arg Leu Val
Tyr Arg Val Ile
Tyr Arg Val Leu
Tyr Val Ile Arg
Tyr Val Leu Arg
Tyr Val Arg Ile
Tyr Val Arg Leu
PC(16:0/3:1)
Platelet-activating factor
PC(2:0/O-18:1)
PC(2:0/O-18:1)[S]
PC(P-18:0/2:0)
PC(20:1/0:0)
1-o-(cis-9-octadecenyl)-2-o-acetyl-sn-glycero-3-phosphocholine
LysoPC(20:1(11Z)/0:0)
TERT-BUTYL ((1S,3S)-1-((2S,4S)-4-ISOPROPYL-5-OXOTETRAHYDROFURAN-2-YL)-3-(4-METHOXY-3-(3-METHOXYPROPOXY)BENZOYL)-4-METHYLPENTYL)CARBAMATE
N-(butoxymethyl)prop-2-enamide,2-methylprop-2-enoic acid,2-methylundecane-2-thiol,styrene
(1R-(1alpha,4abeta,10aalpha))-3,3-(((1,2,3,4,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthryl)methyl)imino)bispropiophenone
[3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
[2-hydroxy-3-[(E)-icos-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
(2R,3S)-2-(Cyanomethyl)-3-[benzyl[(R)-alpha-methylbenzyl]amino]-3-[2-(diallylamino)phenyl]propanoic acid tert-butyl ester
[2-acetyloxy-3-[(Z)-octadec-9-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
[2-hydroxy-3-[(Z)-icos-11-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
2-amino-3-[hydroxy-[2-hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropoxy]phosphoryl]oxypropanoic acid
[2-heptanoyloxy-3-[(Z)-tridec-9-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-henicos-11-enoxy]propan-2-yl] acetate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-pentadec-9-enoxy]propan-2-yl] octanoate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-heptadec-9-enoxy]propan-2-yl] hexanoate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-icos-11-enoxy]propan-2-yl] propanoate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octoxypropan-2-yl] (Z)-pentadec-9-enoate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-nonadec-9-enoxy]propan-2-yl] butanoate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-nonoxypropan-2-yl] (Z)-tetradec-9-enoate
[3-[(Z)-heptadec-9-enoxy]-2-propanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
[3-[(Z)-pentadec-9-enoxy]-2-pentanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
(E)-3-hydroxy-2-[[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]amino]tridec-4-ene-1-sulfonic acid
(4E,8E,12E)-2-[[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]amino]-3-hydroxypentadeca-4,8,12-triene-1-sulfonic acid
(4E,8E)-3-hydroxy-2-[[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]amino]trideca-4,8-diene-1-sulfonic acid
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-decoxypropan-2-yl] (Z)-tridec-9-enoate
(4E,8E)-2-[[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]amino]-3-hydroxypentadeca-4,8-diene-1-sulfonic acid
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tridec-9-enoxy]propan-2-yl] decanoate
(E)-3-hydroxy-2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]undec-4-ene-1-sulfonic acid
4-[2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-3-pentanoyloxypropoxy]-2-(trimethylazaniumyl)butanoate
4-[2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-propanoyloxypropoxy]-2-(trimethylazaniumyl)butanoate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoxy]propan-2-yl] nonanoate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-9-enoxy]propan-2-yl] pentanoate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-hexadec-9-enoxy]propan-2-yl] heptanoate
[2-hexanoyloxy-3-[(Z)-tetradec-9-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
[2-butanoyloxy-3-[(Z)-hexadec-9-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-nonanoyloxypropan-2-yl] (Z)-tridec-9-enoate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-butanoyloxypropan-2-yl] (Z)-octadec-9-enoate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] (Z)-pentadec-9-enoate
[3-hexanoyloxy-2-[(Z)-tridec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (Z)-nonadec-9-enoate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (Z)-heptadec-9-enoate
[1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-icos-11-enoate
[2-[(Z)-hexadec-9-enoyl]oxy-3-propanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] (Z)-hexadec-9-enoate
[3-pentanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octanoyloxypropan-2-yl] (Z)-tetradec-9-enoate
[3-butanoyloxy-2-[(Z)-pentadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
[3-acetyloxy-2-[(Z)-heptadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
[(2R)-2-hydroxy-3-[(E)-icos-13-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
[(2R)-2-hydroxy-3-[(E)-icos-11-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
1-(11Z)-icosenoyl-sn-glycero-3-phosphocholine
A 1-icosenoyl-sn-glycero-3-phosphocholine in which the the double bond of the icosenoyl group is at the 11-12 position and has Z configuration.
1-hexadecanoyl-2-(2E-propionyl)-sn-glycero-3-phosphocholine
phosphatidylcholine (0:0/20:1)
A 2-acyl-sn-glycero-3-phosphocholine which carries a monounsaturated 20 carbon fatty acyl group at position 2. The position of unsaturation is unspecified.
lysophosphatidylcholine 20:1
A lysophosphatidylcholine in which the remaining acyl group contains 20 carbons and 1 double bond. If R1 is the 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 the acyl group then the molecule is a 2-acyl-sn-glycero-3-phosphocholine.
1-icosenoyl-sn-glycero-3-phosphocholine
A lysophosphatidylcholine 20:1 in which the acyl group is located at position 1.
MePC(18:1)
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MePC(19:1)
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PE(22:1)
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