Exact Mass: 536.3842

Exact Mass Matches: 536.3842

Found 108 metabolites which its exact mass value is equals to given mass value 536.3842, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Hyperforin

Bicyclo[3.3.1]non-3-ene-2,9-dione, 4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxopropyl)-6-(4-methyl-3-penten-1-yl)-, (1R,5S,6R,7S)-

C35H52O4 (536.3865)


Hyperforin is a cyclic terpene ketone that is a prenylated carbobicyclic acylphloroglucinol derivative produced by St. Johns Wort, Hypericum perforatum. It has a role as a GABA reuptake inhibitor, a plant metabolite, an anti-inflammatory agent, an antidepressant, an antibacterial agent, an antineoplastic agent and an apoptosis inducer. It is a cyclic terpene ketone, a sesquarterpenoid and a carbobicyclic compound. Hyperforin is a phytochemical generated by the plants of the Hypericum family. One of the most important members of this family, due to its medical properties, is Hypericum perforatum, also known as St Johns wort. Hyperforin is a natural product found in Hypericum linarioides, Hypericum rumeliacum, and other organisms with data available. Hyperforin is found in alcoholic beverages. Hyperforin is a constituent of Hypericum perforatum (St Johns Wort) Hyperforin is a phytochemical produced by some of the members of the plant genus Hypericum, notably Hypericum perforatum (St Johns wort). The structure of hyperforin was elucidated by a research group from the Shemyakin Institute of Bio-organic Chemistry (USSR Academy of Sciences in Moscow) and published in 1975. Hyperforin is a prenylated phloroglucinol derivative. Total synthesis of hyperforin has not yet been accomplished, despite attempts by several research groups Constituent of Hypericum perforatum (St Johns Wort)

   

LysoPA(a-25:0/0:0)

{2-hydroxy-3-[(22-methyltetracosanoyl)oxy]propoxy}phosphonic acid

C28H57O7P (536.3842)


LysoPA(a-25:0/0:0) is a lysophosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. Fatty acids containing 16 and 18 carbons are the most common. LysoPA(a-25:0/0:0), in particular, consists of one chain of anteisopentacosanoic acid at the C-1 position. Lysophosphatidic acid is the simplest possible glycerophospholipid. It is the biosynthetic precursor of phosphatidic acid. Although it is present at very low levels only in animal tissues, it is extremely important biologically, influencing many biochemical processes.

   

Cholyllysine

6-Amino-2-[(1-hydroxy-4-{5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0,.0,]heptadecan-14-yl}pentylidene)amino]hexanoate

C30H52N2O6 (536.3825)


Cholyllysine 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. Cholyllysine consists of the bile acid cholic acid conjugated to the amino acid Lysine 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 Cholyllysine, 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). Cholyllysine 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).

   

2,3,7,8,12,13,17,18-Octaethyl-21,22,23,24-tetrahydroporphyrin

4,5,9,10,14,15,19,20-octaethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11,13,15,17,19-decaene

C36H48N4 (536.3879)


   

(1R,5R,6R,7S)-6-Methyl-1,3,7-tris(3-methylbut-2-enyl)-5-(2-methyl-1-oxopropyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione

(1R,5R,6R,7S)-6-Methyl-1,3,7-tris(3-methylbut-2-enyl)-5-(2-methyl-1-oxopropyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione

C35H52O4 (536.3865)


   

Hyperforin

Bicyclo[3.3.1]non-3-ene-2,9-dione, 4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxopropyl)-6-(4-methyl-3-penten-1-yl)-, (1R,5S,6R,7S)-

C35H52O4 (536.3865)


Hyperforin is a cyclic terpene ketone that is a prenylated carbobicyclic acylphloroglucinol derivative produced by St. Johns Wort, Hypericum perforatum. It has a role as a GABA reuptake inhibitor, a plant metabolite, an anti-inflammatory agent, an antidepressant, an antibacterial agent, an antineoplastic agent and an apoptosis inducer. It is a cyclic terpene ketone, a sesquarterpenoid and a carbobicyclic compound. Hyperforin is a phytochemical generated by the plants of the Hypericum family. One of the most important members of this family, due to its medical properties, is Hypericum perforatum, also known as St Johns wort. Hyperforin is a natural product found in Hypericum linarioides, Hypericum rumeliacum, and other organisms with data available. A cyclic terpene ketone that is a prenylated carbobicyclic acylphloroglucinol derivative produced by St. Johns Wort, Hypericum perforatum.

   

alpha-tocopheryl quinone

alpha-tocopheryl quinone

C35H52O4 (536.3865)


   

Bicyclo[3.3.1]non-3-ene-2,9-dione,4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxopropyl)-6-(4-methyl-3-penten-1-yl)-,(1R,5S,6R,7S)-

Bicyclo[3.3.1]non-3-ene-2,9-dione,4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxopropyl)-6-(4-methyl-3-penten-1-yl)-,(1R,5S,6R,7S)-

C35H52O4 (536.3865)


   

hypercohin G

hypercohin G

C35H52O4 (536.3865)


   

Palmitoyl arucadiol

Palmitoyl arucadiol

C35H52O4 (536.3865)


   

1-(3,7-dimethylocta-2,6-dienyl)-6,6,10,10-tetramethyl-5-(1-methylethyl)-11-(2-methylpropanoyl)tetracyclo[7.3.1.13,11.03,7]tetradecane-2,12,14-trione|hypersampsone B

1-(3,7-dimethylocta-2,6-dienyl)-6,6,10,10-tetramethyl-5-(1-methylethyl)-11-(2-methylpropanoyl)tetracyclo[7.3.1.13,11.03,7]tetradecane-2,12,14-trione|hypersampsone B

C35H52O4 (536.3865)


   

2-(hydroxymethyl)-6-(2,20,21-trihydroxydocosan-3-yloxy)oxane-3,4,5-triol

NCGC00384949-01!2-(hydroxymethyl)-6-(2,20,21-trihydroxydocosan-3-yloxy)oxane-3,4,5-triol

C28H56O9 (536.3924)


   

Lysine conjugated cholic acid

Lysine conjugated cholic acid

C30H52N2O6 (536.3825)


   

((4R)-4-((3R,5R,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)lysine

"((4R)-4-((3R,5R,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)lysine"

C30H52N2O6 (536.3825)


   
   

Ricinoleamidopropyl Ethyldimonium Ethosulfate

Ricinoleamidopropyl Ethyldimonium Ethosulfate

C27H56N2O6S (536.3859)


   

1,3-Bis[2,6-bis(1-ethylpropyl)phenyl]iMidazoliuM chloride, 98\\% IPentHCl

1,3-Bis[2,6-bis(1-ethylpropyl)phenyl]iMidazoliuM chloride, 98\\% IPentHCl

C35H53ClN2 (536.3897)


   

2-(Geranylfernesyl)phenazine

2-(Geranylfernesyl)phenazine

C37H48N2O (536.3766)


   

2,3,7,8,12,13,17,18-Octaethyl-22,24-dihydro-21H,23H-porphyrin

2,3,7,8,12,13,17,18-Octaethyl-22,24-dihydro-21H,23H-porphyrin

C36H48N4 (536.3879)


   

(1R,5R,6R,7S)-6-Methyl-1,3,7-tris(3-methylbut-2-enyl)-5-(2-methyl-1-oxopropyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione

(1R,5R,6R,7S)-6-Methyl-1,3,7-tris(3-methylbut-2-enyl)-5-(2-methyl-1-oxopropyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione

C35H52O4 (536.3865)


   

(2-Hydroxy-3-phosphonooxypropyl) pentacosanoate

(2-Hydroxy-3-phosphonooxypropyl) pentacosanoate

C28H57O7P (536.3842)


   

2-(Hydroxymethyl)-6-(2,20,21-trihydroxydocosan-3-yloxy)oxane-3,4,5-triol

2-(Hydroxymethyl)-6-(2,20,21-trihydroxydocosan-3-yloxy)oxane-3,4,5-triol

C28H56O9 (536.3924)


   

((4R)-4-((3R,5R,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)lysine

((4R)-4-((3R,5R,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)lysine

C30H52N2O6 (536.3825)


   

(1R,5S,7S,8R)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione

(1R,5S,7S,8R)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione

C35H52O4 (536.3865)


   

LysoPA(a-25:0/0:0)

LysoPA(a-25:0/0:0)

C28H57O7P (536.3842)


   

FAHFA 10:1/O-25:7

FAHFA 10:1/O-25:7

C35H52O4 (536.3865)


   

FAHFA 10:2/O-25:6

FAHFA 10:2/O-25:6

C35H52O4 (536.3865)


   

FAHFA 10:3/O-25:5

FAHFA 10:3/O-25:5

C35H52O4 (536.3865)


   

FAHFA 11:1/O-24:7

FAHFA 11:1/O-24:7

C35H52O4 (536.3865)


   

FAHFA 11:2/O-24:6

FAHFA 11:2/O-24:6

C35H52O4 (536.3865)


   

FAHFA 11:3/O-24:5

FAHFA 11:3/O-24:5

C35H52O4 (536.3865)


   

FAHFA 12:1/O-23:7

FAHFA 12:1/O-23:7

C35H52O4 (536.3865)


   

FAHFA 12:2/O-23:6

FAHFA 12:2/O-23:6

C35H52O4 (536.3865)


   

FAHFA 12:3/O-23:5

FAHFA 12:3/O-23:5

C35H52O4 (536.3865)


   

FAHFA 12:4/O-23:4

FAHFA 12:4/O-23:4

C35H52O4 (536.3865)


   

FAHFA 13:1/O-22:7

FAHFA 13:1/O-22:7

C35H52O4 (536.3865)


   

FAHFA 13:2/O-22:6

FAHFA 13:2/O-22:6

C35H52O4 (536.3865)


   

FAHFA 13:3/O-22:5

FAHFA 13:3/O-22:5

C35H52O4 (536.3865)


   

FAHFA 13:4/O-22:4

FAHFA 13:4/O-22:4

C35H52O4 (536.3865)


   

FAHFA 14:1/O-21:7

FAHFA 14:1/O-21:7

C35H52O4 (536.3865)


   

FAHFA 14:2/O-21:6

FAHFA 14:2/O-21:6

C35H52O4 (536.3865)


   

FAHFA 14:3/O-21:5

FAHFA 14:3/O-21:5

C35H52O4 (536.3865)


   

FAHFA 14:4/O-21:4

FAHFA 14:4/O-21:4

C35H52O4 (536.3865)


   

FAHFA 15:2/O-20:6

FAHFA 15:2/O-20:6

C35H52O4 (536.3865)


   

FAHFA 15:3/O-20:5

FAHFA 15:3/O-20:5

C35H52O4 (536.3865)


   

FAHFA 15:4/O-20:4

FAHFA 15:4/O-20:4

C35H52O4 (536.3865)


   

FAHFA 15:5/O-20:3

FAHFA 15:5/O-20:3

C35H52O4 (536.3865)


   

FAHFA 16:2/O-19:6

FAHFA 16:2/O-19:6

C35H52O4 (536.3865)


   

FAHFA 16:3/O-19:5

FAHFA 16:3/O-19:5

C35H52O4 (536.3865)


   

FAHFA 16:4/O-19:4

FAHFA 16:4/O-19:4

C35H52O4 (536.3865)


   

FAHFA 16:5/O-19:3

FAHFA 16:5/O-19:3

C35H52O4 (536.3865)


   

FAHFA 17:2/O-18:6

FAHFA 17:2/O-18:6

C35H52O4 (536.3865)


   

FAHFA 17:3/O-18:5

FAHFA 17:3/O-18:5

C35H52O4 (536.3865)


   

FAHFA 17:4/O-18:4

FAHFA 17:4/O-18:4

C35H52O4 (536.3865)


   

FAHFA 17:5/O-18:3

FAHFA 17:5/O-18:3

C35H52O4 (536.3865)


   

FAHFA 18:3/O-17:5

FAHFA 18:3/O-17:5

C35H52O4 (536.3865)


   

FAHFA 18:4/O-17:4

FAHFA 18:4/O-17:4

C35H52O4 (536.3865)


   

FAHFA 18:5/O-17:3

FAHFA 18:5/O-17:3

C35H52O4 (536.3865)


   

FAHFA 18:6/O-17:2

FAHFA 18:6/O-17:2

C35H52O4 (536.3865)


   

FAHFA 19:3/O-16:5

FAHFA 19:3/O-16:5

C35H52O4 (536.3865)


   

FAHFA 19:4/O-16:4

FAHFA 19:4/O-16:4

C35H52O4 (536.3865)


   

FAHFA 19:5/O-16:3

FAHFA 19:5/O-16:3

C35H52O4 (536.3865)


   

FAHFA 19:6/O-16:2

FAHFA 19:6/O-16:2

C35H52O4 (536.3865)


   

FAHFA 20:3/O-15:5

FAHFA 20:3/O-15:5

C35H52O4 (536.3865)


   

FAHFA 20:4/O-15:4

FAHFA 20:4/O-15:4

C35H52O4 (536.3865)


   

FAHFA 20:5/O-15:3

FAHFA 20:5/O-15:3

C35H52O4 (536.3865)


   

FAHFA 20:6/O-15:2

FAHFA 20:6/O-15:2

C35H52O4 (536.3865)


   

FAHFA 21:4/O-14:4

FAHFA 21:4/O-14:4

C35H52O4 (536.3865)


   

FAHFA 21:5/O-14:3

FAHFA 21:5/O-14:3

C35H52O4 (536.3865)


   

FAHFA 21:6/O-14:2

FAHFA 21:6/O-14:2

C35H52O4 (536.3865)


   

FAHFA 21:7/O-14:1

FAHFA 21:7/O-14:1

C35H52O4 (536.3865)


   

FAHFA 22:4/O-13:4

FAHFA 22:4/O-13:4

C35H52O4 (536.3865)


   

FAHFA 22:5/O-13:3

FAHFA 22:5/O-13:3

C35H52O4 (536.3865)


   

FAHFA 22:6/O-13:2

FAHFA 22:6/O-13:2

C35H52O4 (536.3865)


   

FAHFA 22:7/O-13:1

FAHFA 22:7/O-13:1

C35H52O4 (536.3865)


   

FAHFA 23:4/O-12:4

FAHFA 23:4/O-12:4

C35H52O4 (536.3865)


   

FAHFA 23:5/O-12:3

FAHFA 23:5/O-12:3

C35H52O4 (536.3865)


   

FAHFA 23:6/O-12:2

FAHFA 23:6/O-12:2

C35H52O4 (536.3865)


   

FAHFA 23:7/O-12:1

FAHFA 23:7/O-12:1

C35H52O4 (536.3865)


   

FAHFA 24:5/O-11:3

FAHFA 24:5/O-11:3

C35H52O4 (536.3865)


   

FAHFA 24:6/O-11:2

FAHFA 24:6/O-11:2

C35H52O4 (536.3865)


   

FAHFA 24:7/O-11:1

FAHFA 24:7/O-11:1

C35H52O4 (536.3865)


   

FAHFA 25:5/O-10:3

FAHFA 25:5/O-10:3

C35H52O4 (536.3865)


   

FAHFA 25:6/O-10:2

FAHFA 25:6/O-10:2

C35H52O4 (536.3865)


   

FAHFA 25:7/O-10:1

FAHFA 25:7/O-10:1

C35H52O4 (536.3865)


   

FAHFA 26:5/O-9:3

FAHFA 26:5/O-9:3

C35H52O4 (536.3865)


   

FAHFA 26:6/O-9:2

FAHFA 26:6/O-9:2

C35H52O4 (536.3865)


   

FAHFA 26:7/O-9:1

FAHFA 26:7/O-9:1

C35H52O4 (536.3865)


   

FAHFA 35:8;O

FAHFA 35:8;O

C35H52O4 (536.3865)


   

FAHFA 9:1/O-26:7

FAHFA 9:1/O-26:7

C35H52O4 (536.3865)


   

FAHFA 9:2/O-26:6

FAHFA 9:2/O-26:6

C35H52O4 (536.3865)


   

FAHFA 9:3/O-26:5

FAHFA 9:3/O-26:5

C35H52O4 (536.3865)


   
   

PA O-14:0/11:0

PA O-14:0/11:0

C28H57O7P (536.3842)


   
   
   
   
   
   
   
   

4-hydroxy-2-isopropyl-8,8-dimethyl-5-oxo-6,7-dihydrophenanthren-3-yl hexadecanoate

4-hydroxy-2-isopropyl-8,8-dimethyl-5-oxo-6,7-dihydrophenanthren-3-yl hexadecanoate

C35H52O4 (536.3865)


   

11-(3,7-dimethylocta-2,6-dien-1-yl)-3-isopropyl-4,4,8,8-tetramethyl-9-(2-methylpropanoyl)tetracyclo[7.3.1.1⁷,¹¹.0¹,⁵]tetradecane-10,12,13-trione

11-(3,7-dimethylocta-2,6-dien-1-yl)-3-isopropyl-4,4,8,8-tetramethyl-9-(2-methylpropanoyl)tetracyclo[7.3.1.1⁷,¹¹.0¹,⁵]tetradecane-10,12,13-trione

C35H52O4 (536.3865)


   

2-{[(2r)-2,5,7,8-tetramethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]-3,4-dihydro-1-benzopyran-6-yl]oxy}cyclohexa-2,5-diene-1,4-dione

2-{[(2r)-2,5,7,8-tetramethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]-3,4-dihydro-1-benzopyran-6-yl]oxy}cyclohexa-2,5-diene-1,4-dione

C35H52O4 (536.3865)


   

(1s,5s,7r,8s)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione

(1s,5s,7r,8s)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione

C35H52O4 (536.3865)


   

(1s,3r,5r,7r,9s,11r)-11-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3-isopropyl-4,4,8,8-tetramethyl-9-(2-methylpropanoyl)tetracyclo[7.3.1.1⁷,¹¹.0¹,⁵]tetradecane-10,12,13-trione

(1s,3r,5r,7r,9s,11r)-11-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3-isopropyl-4,4,8,8-tetramethyl-9-(2-methylpropanoyl)tetracyclo[7.3.1.1⁷,¹¹.0¹,⁵]tetradecane-10,12,13-trione

C35H52O4 (536.3865)


   

2-{[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-yl]oxy}cyclohexa-2,5-diene-1,4-dione

2-{[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-yl]oxy}cyclohexa-2,5-diene-1,4-dione

C35H52O4 (536.3865)


   

(1s,5s,7s,8r)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione

(1s,5s,7s,8r)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione

C35H52O4 (536.3865)