Exact Mass: 885.1241

Exact Mass Matches: 885.1241

Found 24 metabolites which its exact mass value is equals to given mass value 885.1241, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 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).

   

3-hydroxy-3-(methylthio)propanoyl-CoA

3-Hydroxy-3-(methylthio)propanoyl-CoA; 3-Hydroxy-3-(methylsulfanyl)propanoyl-CoA

C25H42N7O18P3S2 (885.1241)


An acyl-CoA thioester that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxy-3-(methylthio)propanoic acid.

   

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)


   

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

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

C28H38N7O18P3S-4 (885.1207)


   

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)


   

(5R)-5-hydroxycyclohexa-1,3-diene-1-carbonyl-CoA

(5R)-5-hydroxycyclohexa-1,3-diene-1-carbonyl-CoA

C28H38N7O18P3S-4 (885.1207)


   

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)


   

3-hydroxycyclohexa-1,5-diene-1-carbonyl-CoA(4-)

3-hydroxycyclohexa-1,5-diene-1-carbonyl-CoA(4-)

C28H38N7O18P3S-4 (885.1207)


   
   
   
   
   

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.

   

3-hydroxycyclohexa-1,5-diene-1-carbonyl-CoA(4-)

3-hydroxycyclohexa-1,5-diene-1-carbonyl-CoA(4-)

C28H38N7O18P3S (885.1207)


An acyl-CoA(4-) that is the tetraanion of 3-hydroxycyclohexa-1,5-diene-1-carbonyl-CoA arising from deprotonation of phosphate and diphosphate functions.

   

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

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

C28H38N7O18P3S (885.1207)


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 6-oxocyclohex-1-ene-1-carbonyl-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.