Exact Mass: 871.1414

Exact Mass Matches: 871.1414

Found 11 metabolites which its exact mass value is equals to given mass value 871.1414, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Benzoyl-CoA

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

C28H40N7O17P3S (871.1414)


Benzoyl-CoA is an intermediate in phenylalanine (as well as benzoate and salicylate) metabolism. In bacteria and gut microflora, benzoyl-CoA is a compound that is formed as a central intermediate in the degradation of a large number of aromatic growth substrates. Benzoyl CoA can be synthesized from hippuric acid and vice versa. [HMDB]. Benzoyl-CoA is found in many foods, some of which are malabar plum, barley, vanilla, and banana. Benzoyl-CoA is an intermediate in phenylalanine (as well as benzoate and salicylate) metabolism. In bacteria and gut microflora, benzoyl-CoA is a compound that is formed as a central intermediate in the degradation of a large number of aromatic growth substrates. Benzoyl CoA can be synthesized from hippuric acid and vice versa. Benzoyl-CoA is a microbial metabolite that can be found in Streptomyces (PMID: 12511484).

   

benzoyl-coenzyme A

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

C28H40N7O17P3S (871.1414)


   
   

cyclohex-1-ene-1-carbonyl-CoA(4-)

cyclohex-1-ene-1-carbonyl-CoA(4-)

C28H40N7O17P3S-4 (871.1414)


   

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

C28H40N7O17P3S-4 (871.1414)


   

cyclohex-2-ene-1-carbonyl-CoA

cyclohex-2-ene-1-carbonyl-CoA

C28H40N7O17P3S-4 (871.1414)


   

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

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

C28H40N7O17P3S (871.1414)


   
   

Benzoyl-coa

Benzoyl-coa

C28H40N7O17P3S (871.1414)


The simplest member of the class of benzoyl-CoAs that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of benzoic acid.

   

cyclohex-1-ene-1-carbonyl-CoA(4-)

cyclohex-1-ene-1-carbonyl-CoA(4-)

C28H40N7O17P3S (871.1414)


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of cyclohex-1-ene-1-carbonyl-CoA; major species at pH 7.3.

   

(2r)-4-[({[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-n-(2-{[2-(benzoylsulfanyl)ethyl]-c-hydroxycarbonimidoyl}ethyl)-2-hydroxy-3,3-dimethylbutanimidic acid

(2r)-4-[({[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-n-(2-{[2-(benzoylsulfanyl)ethyl]-c-hydroxycarbonimidoyl}ethyl)-2-hydroxy-3,3-dimethylbutanimidic acid

C28H40N7O17P3S (871.1414)