Exact Mass: 887.1727164

Exact Mass Matches: 887.1727164

Found 32 metabolites which its exact mass value is equals to given mass value 887.1727164, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

4-hydroxybenzoyl-CoA

(2R)-4-({[({[(2R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-N-(2-{[2-(4-hydroxybenzoylsulphanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-3,3-dimethylbutanimidic acid

C28H40N7O18P3S (887.136333)


4-Hydroxybenzoyl-CoA is an intermediate in Fluorobenzoate degradation. 4-Hydroxybenzoyl-CoA is converted from 4-Fluorobenzoyl-CoA via the enzyme 4-chlorobenzoyl-CoA dehalogenase (EC 3.8.1.7). [HMDB]. 4-Hydroxybenzoyl-CoA is found in many foods, some of which are chinese chives, mustard spinach, salmonberry, and sunflower. 4-Hydroxybenzoyl-CoA is an intermediate in Fluorobenzoate degradation. 4-Hydroxybenzoyl-CoA is converted from 4-Fluorobenzoyl-CoA via the enzyme 4-chlorobenzoyl-CoA dehalogenase (EC 3.8.1.7). COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

3-hydroxybenzoyl-CoA

3-hydroxybenzoyl-CoA

C28H40N7O18P3S (887.136333)


A hydroxybenzoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-hydroxybenzoic acid.

   

2,3-Epoxy-2,3-dihydrobenzoyl-CoA

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 7-oxabicyclo[4.1.0]hepta-2,4-diene-2-carbothioate

C28H40N7O18P3S (887.136333)


   

Salicyloyl-CoA

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-[(2-{[2-(2-hydroxybenzoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C28H40N7O18P3S (887.136333)


Salicyl-coenzyme A is the intermediate product in the formation of salicyluric acid from salicylic acid. It has been shown to suppress LPS-induced PGE(2) production which effectively complements the action of salicylilc acid -- the major metabolite of aspirin (PMID: 10903918). Salicyl CoA is metabolized in the liver by mitochondrial acyl CoA:glycine N-acyl transferase (ACGNAT). This enzyme is important in the detoxification of various endogenous and xenobiotic acyl CoAs. [HMDB] Salicyloyl-CoA is the intermediate product in the formation of salicyluric acid from salicylic acid. It has been shown to suppress LPS-induced PGE(2) production which effectively complements the action of salicylic acid -- the major metabolite of aspirin (PMID: 10903918). Salicyloyl-CoA is metabolized in the liver by mitochondrial acyl CoA:glycine N-acyl transferase (ACGNAT). This enzyme is important in the detoxification of various endogenous and xenobiotic acyl-CoAs.

   

3-trans,5-cis-Octadienoyl-CoA

4-({[({[(2S,3S,4R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonomethyl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(2E,4Z)-octa-2,4-dienoylsulphanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid

C30H48N7O16P3S (887.2090998)


3-trans,5-cis-Octadienoyl-CoA is a metabolite formed during the beta-oxidation of unsaturated fatty acids with double bonds extending from odd-numbered carbon atoms by mitochondrial delta 3,delta 2-enoyl-CoA isomerase (EC 5.3.3.8) from 2-trans-5-cis-octadienoyl-CoA. 2-trans-5-cis-octadienoyl-CoA is formed by medium-chain acyl-CoA dehydrogenase (EC 1.3.99.3) from 5-cis-Octenoyl-CoA, a putative metabolite of linolenic acid.(PMID 1495956) [HMDB] 3-trans,5-cis-Octadienoyl-CoA is a metabolite formed during the beta-oxidation of unsaturated fatty acids with double bonds extending from odd-numbered carbon atoms by mitochondrial delta 3,delta 2-enoyl-CoA isomerase (EC 5.3.3.8) from 2-trans-5-cis-octadienoyl-CoA. 2-trans-5-cis-octadienoyl-CoA is formed by medium-chain acyl-CoA dehydrogenase (EC 1.3.99.3) from 5-cis-Octenoyl-CoA, a putative metabolite of linolenic acid.(PMID 1495956).

   

4-Hydroxybenoyl-CoA

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-[(2-{[2-(4-hydroxybenzoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C28H40N7O18P3S (887.136333)


This compound belongs to the family of Acyl CoAs. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.

   

Salicyl CoA

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2-hydroxyphenyl)carbonylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C28H40N7O18P3S (887.136333)


   

4-Hydroxybenzoyl-coenzyme A; (Acyl-CoA); [M+H]+

4-Hydroxybenzoyl-coenzyme A; (Acyl-CoA); [M+H]+

C28H40N7O18P3S (887.136333)


   
   
   

6-hydroxycyclohex-1-ene-1-carbonyl-CoA(4-)

6-hydroxycyclohex-1-ene-1-carbonyl-CoA(4-)

C28H40N7O18P3S-4 (887.136333)


   
   

(5S)-5-hydroxycyclohex-1-ene-1-carbonyl-CoA

(5S)-5-hydroxycyclohex-1-ene-1-carbonyl-CoA

C28H40N7O18P3S-4 (887.136333)


   

2-Ketocyclohexane-1-carboxyl-CoA

2-Ketocyclohexane-1-carboxyl-CoA

C28H40N7O18P3S-4 (887.136333)


   
   

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-[2-(5-methyl-3-oxohex-4-enoyl)sulfanylethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-[2-(5-methyl-3-oxohex-4-enoyl)sulfanylethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate

C28H40N7O18P3S-4 (887.136333)


   
   

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-methylcyclohexa-1,5-diene-1-carbothioate

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-methylcyclohexa-1,5-diene-1-carbothioate

C29H44N7O17P3S (887.1727164)


   
   
   

cis-Pt(NH3)2[d(pApG)-N7(1),N7(2)]

cis-Pt(NH3)2[d(pApG)-N7(1),N7(2)]

C20H30N12O12P2Pt (887.122917)


   

4-hydroxybenzoyl-CoA; (Acyl-CoA); [M+H]+

4-hydroxybenzoyl-CoA; (Acyl-CoA); [M+H]+

C28H40N7O18P3S (887.136333)


   

S-[2-[3-[[(2R)-4-[[[(2R,3R,4S,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-hydroxybenzenecarbothioate

S-[2-[3-[[(2R)-4-[[[(2R,3R,4S,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-hydroxybenzenecarbothioate

C28H40N7O18P3S (887.136333)


   

3-Hydroxybenzoyl-CoA; (Acyl-CoA); [M+H]+

3-Hydroxybenzoyl-CoA; (Acyl-CoA); [M+H]+

C28H40N7O18P3S (887.136333)


   

PubChem CID: 44632923; (Acyl-CoA); [M+H]+

PubChem CID: 44632923; (Acyl-CoA); [M+H]+

C29H44N7O17P3S (887.1727164)


   

2-Hydroxybenzoyl-CoA

2-Hydroxybenzoyl-CoA

C28H40N7O18P3S (887.136333)


A hydroxybenzoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxybenzoic acid.

   

4-hydroxybenzoyl-CoA

4-hydroxybenzoyl-CoA

C28H40N7O18P3S (887.136333)


A hydroxybenzoyl-CoA that is the S-(4-hydroxybenzoyl) derivative of coenzyme A.

   

trans-oct-2-enoyl-CoA(4-)

trans-oct-2-enoyl-CoA(4-)

C29H44N7O17P3S (887.1727164)


A trans-2,3-didehydroacyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of trans-oct-2-enoyl-CoA; major species at pH 7.3.

   

cis-3-octenoyl-CoA(4-)

cis-3-octenoyl-CoA(4-)

C29H44N7O17P3S (887.1727164)


A cis-3-enoyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of cis-3-octenoyl-CoA; major species at pH 7.3.

   

6-hydroxycyclohex-1-ene-1-carbonyl-CoA(4-)

6-hydroxycyclohex-1-ene-1-carbonyl-CoA(4-)

C28H40N7O18P3S (887.136333)


Tetraanion of 6-hydroxycyclohex-1-ene-1-carbonyl-CoA arising from deprotonation of phosphate and diphosphate functions.

   

3-trans,5-cis-Octadienoyl-CoA

3-trans,5-cis-Octadienoyl-CoA

C30H48N7O16P3S (887.2090998)


   

(3E)-octenoyl-CoA(4-)

(3E)-octenoyl-CoA(4-)

C29H44N7O17P3S (887.1727164)


A trans-3-enoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3E)-octenoyl-CoA; major species at pH 7.3.