Exact Mass: 885.1571

Exact Mass Matches: 885.1571

Found 14 metabolites which its exact mass value is equals to given mass value 885.1571, within given mass tolerance error 4.0E-5 dalton. Try search metabolite list with more accurate mass tolerance error 8.0E-6 dalton.

Phenylacetyl-CoA

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

C29H42N7O17P3S (885.1571)


Phenylacetyl-CoA was found to be a very potent inhibitor of choline acetyltransferase, competitive for acetyl-CoA with Ki of 3.1 X 10(-7)M. Phenylacetate exerts its neurotoxic action through its metabolic product, phenylacetyl-CoA, which could severely decrease the availability of acetyl-CoA. (PMID: 6142928) [HMDB] Phenylacetyl-CoA was found to be a very potent inhibitor of choline acetyltransferase, competitive for acetyl-CoA with Ki of 3.1 X 10(-7)M. Phenylacetate exerts its neurotoxic action through its metabolic product, phenylacetyl-CoA, which could severely decrease the availability of acetyl-CoA (PMID: 6142928).

   

Salicyl CoA

Thio-salicylic acid S-ester with coenzyme A

C29H42N7O17P3S (885.1571)


   

{[(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-methylphenyl)carbonylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

{[(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-methylphenyl)carbonylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C29H42N7O17P3S (885.1571)


   

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-methylbenzenecarbothioate

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-methylbenzenecarbothioate

C29H42N7O17P3S (885.1571)


   

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] 3-methylbenzenecarbothioate

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] 3-methylbenzenecarbothioate

C29H42N7O17P3S (885.1571)


   

(2E,5Z)-octadienoyl-CoA(4-)

(2E,5Z)-octadienoyl-CoA(4-)

C29H42N7O17P3S-4 (885.1571)


   

trans-3-cis-5-octadienoyl-CoA(4-)

trans-3-cis-5-octadienoyl-CoA(4-)

C29H42N7O17P3S-4 (885.1571)


   

trans,trans-octa-2,4-dienoyl-CoA(4-)

trans,trans-octa-2,4-dienoyl-CoA(4-)

C29H42N7O17P3S-4 (885.1571)


   

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] 2-methylbenzenecarbothioate

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] 2-methylbenzenecarbothioate

C29H42N7O17P3S (885.1571)


   

PubChem CID: 25245999; (Acyl-CoA); [M+H]+

PubChem CID: 25245999; (Acyl-CoA); [M+H]+

C29H42N7O17P3S (885.1571)


   

Phenylacetyl-CoA

Phenylacetyl-CoA

C29H42N7O17P3S (885.1571)


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of phenylacetic acid.

   

(2E,5Z)-octadienoyl-CoA(4-)

(2E,5Z)-octadienoyl-CoA(4-)

C29H42N7O17P3S (885.1571)


A trans-3-enoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,5Z)-octadienoyl-CoA; major species at pH 7.3.

   

trans,trans-octa-2,4-dienoyl-CoA(4-)

trans,trans-octa-2,4-dienoyl-CoA(4-)

C29H42N7O17P3S (885.1571)


A trans,trans-2,3,4,5-tetradehydroacyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of trans,trans-octa-2,4-dienoyl-CoA; major species at pH 7.3.

   

trans-3-cis-5-octadienoyl-CoA(4-)

trans-3-cis-5-octadienoyl-CoA(4-)

C29H42N7O17P3S (885.1571)


A trans-3,cis-5-dienoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate functions of trans-3-cis-5-octadienoyl-CoA; major species at pH 7.3.