Exact Mass: 536.3396088

Exact Mass Matches: 536.3396088

Found 83 metabolites which its exact mass value is equals to given mass value 536.3396088, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

PA(8:0/16:0)

[(2R)-2-(hexadecanoyloxy)-3-(octanoyloxy)propoxy]phosphonic acid

C27H53O8P (536.3477868)


PA(8:0/16:0) is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(8:0/16:0), in particular, consists of one chain of caprylic acid at the C-1 position and one chain of palmitic acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.

   

PA(10:0/i-14:0)

[(2R)-3-(decanoyloxy)-2-[(12-methyltridecanoyl)oxy]propoxy]phosphonic acid

C27H53O8P (536.3477868)


PA(10:0/i-14:0) is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(10:0/i-14:0), in particular, consists of one chain of capric acid at the C-1 position and one chain of isotetradecanoic acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.

   

PA(8:0/i-16:0)

[(2R)-2-[(14-methylpentadecanoyl)oxy]-3-(octanoyloxy)propoxy]phosphonic acid

C27H53O8P (536.3477868)


PA(8:0/i-16:0) is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(8:0/i-16:0), in particular, consists of one chain of caprylic acid at the C-1 position and one chain of isohexadecanoic acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.

   

PA(i-12:0/i-12:0)

[(2R)-2-(10-methylundecanoyloxy)-3-phosphonooxypropyl] 10-methylundecanoate

C27H53O8P (536.3477868)


PA(i-12:0/i-12:0) is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(i-12:0/i-12:0), in particular, consists of one chain of isododecanoic acid at the C-1 position and one chain of isododecanoic acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.

   

Cholylglutamine

2-[(1-Hydroxy-4-{5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0,.0,]heptadecan-14-yl}pentylidene)amino]-4-(C-hydroxycarbonimidoyl)butanoate

C29H48N2O7 (536.3461338)


Cholylglutamine 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. Cholylglutamine consists of the bile acid cholic acid conjugated to the amino acid Glutamine 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 Cholylglutamine, 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). Cholylglutamine 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).

   

Polypodine B 20,22-acetonide

Polypodine B 20,22-acetonide

C30H48O8 (536.3349008)


   

Integristerone A 20,22-acetonide

Integristerone A 20,22-acetonide

C30H48O8 (536.3349008)


   

2-Deoxy-5,20,26-trihydroxyecdysone 20,22-acetonide

2-Deoxy-5,20,26-trihydroxyecdysone 20,22-acetonide

C30H48O8 (536.3349008)


   

Fungicide K 99-5278A

Fungicide K 99-5278A

C30H48O8 (536.3349008)


   

3alpha-Angeloyloxy-2beta,15-dihydroxy-ent-labda-7,13E-dien-2-O-beta-xylopyranoside

3alpha-Angeloyloxy-2beta,15-dihydroxy-ent-labda-7,13E-dien-2-O-beta-xylopyranoside

C30H48O8 (536.3349008)


   
   

Dilauroylphosphatidic acid

Dodecanoic acid, 1-[(phosphonooxy)methyl]-1,2-ethanediyl ester

C27H53O8P (536.3477868)


   

20,26-dihydroxyecdysone 20,22-acetonide

20,26-dihydroxyecdysone 20,22-acetonide

C30H48O8 (536.3349008)


   
   

n-octacosyl iodide

n-octacosyl iodide

C28H57IO (536.3453942)


   

(2beta,3alpha,6alpha)-2,3,6,20,23,30-hexahydroxyurs-12-en-28-oic acid

(2beta,3alpha,6alpha)-2,3,6,20,23,30-hexahydroxyurs-12-en-28-oic acid

C30H48O8 (536.3349008)


   
   

2alpha,3beta-dihydroxy-9,9-dimethyl-3,4-(2,2-dimethyl-3beta-hydroxy-3,4-dihydro-2H-pyran)-8-(gamma,gamma-dimethylallyl)-2-(3-hydroxy-3-methylbutyl)-6-(1-oxo-2-methylpropyl)-8beta-H-cis-bicyclo[3.3.1]nona-1,5-dione|garcinielliptone H

2alpha,3beta-dihydroxy-9,9-dimethyl-3,4-(2,2-dimethyl-3beta-hydroxy-3,4-dihydro-2H-pyran)-8-(gamma,gamma-dimethylallyl)-2-(3-hydroxy-3-methylbutyl)-6-(1-oxo-2-methylpropyl)-8beta-H-cis-bicyclo[3.3.1]nona-1,5-dione|garcinielliptone H

C30H48O8 (536.3349008)


   

1,2,3,16,19,20-hexahydroxyolean-12-en-28-oic acid

1,2,3,16,19,20-hexahydroxyolean-12-en-28-oic acid

C30H48O8 (536.3349008)


   

2beta,3alpha,16alpha,20(R),24(S),25-hexahydroxy-9-methyl-19-norlanost-5-en-11,22-dione

2beta,3alpha,16alpha,20(R),24(S),25-hexahydroxy-9-methyl-19-norlanost-5-en-11,22-dione

C30H48O8 (536.3349008)


   
   

ajugacetalsterone D

ajugacetalsterone D

C30H48O8 (536.3349008)


   
   

Lys Tyr Val Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]hexanoic acid

C26H44N6O6 (536.3322164)


   

13(S)-HODE-biotin

13S-hydroxy-9Z,11E-octadecadiene-(2-biotinyl)hydrazide

C28H48N4O4S (536.3396088)


   

Tyr Val Lys Lys

(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]hexanamido]hexanoic acid

C26H44N6O6 (536.3322164)


   

Lys Val Tyr Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]hexanoic acid

C26H44N6O6 (536.3322164)


   

1,2-Dilauroyl-sn-glycero-3-phosphate

1,2-Dilauroyl-sn-glycero-3-phosphate

C27H53O8P (536.3477868)


A 1-acyl-2-dodecanoyl-sn-glycerol-3-phosphate in which the 1-acyl group is also dodecanoyl (lauroyl). Acquisition and generation of the data is financially supported in part by CREST/JST.

   

1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt

1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt

C27H53O8P (536.3477868)


   

Glutamine conjugated cholic acid

5-amino-5-oxo-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentanoic acid

C29H48N2O7 (536.3461338)


   

Lys Lys Val Tyr

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoic acid

C26H44N6O6 (536.3322164)


   

Lys Lys Tyr Val

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanoic acid

C26H44N6O6 (536.3322164)


   

Lys Val Lys Tyr

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-methylbutanamido]hexanamido]-3-(4-hydroxyphenyl)propanoic acid

C26H44N6O6 (536.3322164)


   

Lys Tyr Lys Val

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-methylbutanoic acid

C26H44N6O6 (536.3322164)


   

Val Lys Lys Tyr

(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-amino-3-methylbutanamido]hexanamido]hexanamido]-3-(4-hydroxyphenyl)propanoic acid

C26H44N6O6 (536.3322164)


   

Val Lys Tyr Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-methylbutanamido]hexanamido]-3-(4-hydroxyphenyl)propanamido]hexanoic acid

C26H44N6O6 (536.3322164)


   

Val Tyr Lys Lys

(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]hexanoic acid

C26H44N6O6 (536.3322164)


   

Tyr Lys Lys Val

(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]hexanamido]hexanamido]-3-methylbutanoic acid

C26H44N6O6 (536.3322164)


   

Tyr Lys Val Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-methylbutanamido]hexanoic acid

C26H44N6O6 (536.3322164)


   

Dilauroyl phosphatidic acid

Dodecanoic acid, 1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, (R)-

C27H53O8P (536.3477868)


   

PA 24:0

Dodecanoic acid, 1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, (R)-

C27H53O8P (536.3477868)


   

ST 30:3;O8

20,22beta-O-isopropylidene-2beta,3beta,11alpha,14alpha,20,22R,25-heptahydroxy-5beta-cholest-7-en-6-one

C30H48O8 (536.3349008)


   

Cucurbitacin C2

24(S)-3beta,16alpha,19,20beta,24,25-hexahydroxycucurbit-5-en-11,22-dione

C30H48O8 (536.3349008)


   

(2-Dodecanoyloxy-3-phosphonooxypropyl) dodecanoate

(2-Dodecanoyloxy-3-phosphonooxypropyl) dodecanoate

C27H53O8P (536.3477868)


   

2-[[(2R)-2-acetyloxy-3-[(Z)-hexadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[(2R)-2-acetyloxy-3-[(Z)-hexadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C26H51NO8P+ (536.3352116)


   

2,3-dihydroxypropyl [3-[(11Z,14Z)-henicosa-11,14-dienoxy]-2-hydroxypropyl] hydrogen phosphate

2,3-dihydroxypropyl [3-[(11Z,14Z)-henicosa-11,14-dienoxy]-2-hydroxypropyl] hydrogen phosphate

C27H53O8P (536.3477868)


   

(1-Acetyloxy-3-phosphonooxypropan-2-yl) docosanoate

(1-Acetyloxy-3-phosphonooxypropan-2-yl) docosanoate

C27H53O8P (536.3477868)


   

(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) nonadecanoate

(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) nonadecanoate

C27H53O8P (536.3477868)


   

(1-Phosphonooxy-3-propanoyloxypropan-2-yl) henicosanoate

(1-Phosphonooxy-3-propanoyloxypropan-2-yl) henicosanoate

C27H53O8P (536.3477868)


   

(1-Hexanoyloxy-3-phosphonooxypropan-2-yl) octadecanoate

(1-Hexanoyloxy-3-phosphonooxypropan-2-yl) octadecanoate

C27H53O8P (536.3477868)


   

(1-Octanoyloxy-3-phosphonooxypropan-2-yl) hexadecanoate

(1-Octanoyloxy-3-phosphonooxypropan-2-yl) hexadecanoate

C27H53O8P (536.3477868)


   

(1-Nonanoyloxy-3-phosphonooxypropan-2-yl) pentadecanoate

(1-Nonanoyloxy-3-phosphonooxypropan-2-yl) pentadecanoate

C27H53O8P (536.3477868)


   

(1-Butanoyloxy-3-phosphonooxypropan-2-yl) icosanoate

(1-Butanoyloxy-3-phosphonooxypropan-2-yl) icosanoate

C27H53O8P (536.3477868)


   

(1-Heptanoyloxy-3-phosphonooxypropan-2-yl) heptadecanoate

(1-Heptanoyloxy-3-phosphonooxypropan-2-yl) heptadecanoate

C27H53O8P (536.3477868)


   

(1-Decanoyloxy-3-phosphonooxypropan-2-yl) tetradecanoate

(1-Decanoyloxy-3-phosphonooxypropan-2-yl) tetradecanoate

C27H53O8P (536.3477868)


   

(1-Phosphonooxy-3-undecanoyloxypropan-2-yl) tridecanoate

(1-Phosphonooxy-3-undecanoyloxypropan-2-yl) tridecanoate

C27H53O8P (536.3477868)


   

[(2R)-2-decanoyloxy-3-phosphonooxypropyl] tetradecanoate

[(2R)-2-decanoyloxy-3-phosphonooxypropyl] tetradecanoate

C27H53O8P (536.3477868)


   

[(2R)-3-phosphonooxy-2-undecanoyloxypropyl] tridecanoate

[(2R)-3-phosphonooxy-2-undecanoyloxypropyl] tridecanoate

C27H53O8P (536.3477868)


   

[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] tetradecanoate

[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] tetradecanoate

C27H53O8P (536.3477868)


   

[(2R)-1-phosphonooxy-3-undecanoyloxypropan-2-yl] tridecanoate

[(2R)-1-phosphonooxy-3-undecanoyloxypropan-2-yl] tridecanoate

C27H53O8P (536.3477868)


   

2-[[3-acetyloxy-2-[(Z)-hexadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[3-acetyloxy-2-[(Z)-hexadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C26H51NO8P+ (536.3352116)


   

2-[[3-butanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[3-butanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C26H51NO8P+ (536.3352116)


   

2-[hydroxy-[3-pentanoyloxy-2-[(Z)-tridec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

2-[hydroxy-[3-pentanoyloxy-2-[(Z)-tridec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

C26H51NO8P+ (536.3352116)


   

2-[hydroxy-[2-[(Z)-pentadec-9-enoyl]oxy-3-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium

2-[hydroxy-[2-[(Z)-pentadec-9-enoyl]oxy-3-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium

C26H51NO8P+ (536.3352116)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

3a,5a,7,8-tetrahydroxy-1-[5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-9a,11a-dimethyl-1h,2h,3h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

3a,5a,7,8-tetrahydroxy-1-[5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-9a,11a-dimethyl-1h,2h,3h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

C30H48O8 (536.3349008)