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 0.0002 dalton. Try search metabolite list with more accurate mass tolerance error 4.0E-5 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.