Exact Mass: 966.1183

Exact Mass Matches: 966.1183

Found 6 metabolites which its exact mass value is equals to given mass value 966.1183, within given mass tolerance error 4.0E-5 dalton. Try search metabolite list with more accurate mass tolerance error 8.0E-6 dalton.

4-(2'-carboxyphenyl)-4-oxobutyryl-CoA

2-[4-({2-[(3-{[4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-1-oxidobutylidene]amino}-1-oxidopropylidene)amino]ethyl}sulphanyl)-4-oxobutanoyl]benzoic acid

C32H39N7O20P3S (966.1183)


4-(2-carboxyphenyl)-4-oxobutyryl-coa, also known as 2-succinylbenzoyl-coa or 2-(3-carboxypropionyl)benzoyl-coa, is a member of the class of compounds known as acyl coas. Acyl coas are organic compounds containing a coenzyme A substructure linked to an acyl chain. 4-(2-carboxyphenyl)-4-oxobutyryl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 4-(2-carboxyphenyl)-4-oxobutyryl-coa can be found in a number of food items such as spinach, lettuce, date, and chervil, which makes 4-(2-carboxyphenyl)-4-oxobutyryl-coa a potential biomarker for the consumption of these food products.

   

4-(2-carboxyphenyl)-4-oxobutyryl-CoA

4-(2-carboxyphenyl)-4-oxobutyryl-CoA

C32H39N7O20P3S-5 (966.1183)


   

3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanylcarbonyl]-4-oxo-4-phenylbutanoate

3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanylcarbonyl]-4-oxo-4-phenylbutanoate

C32H39N7O20P3S-5 (966.1183)


   

2-[4-[2-[[3-[[4-[[[5-(6-Aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxidobutylidene]amino]-1-oxidopropylidene]amino]ethylsulfanyl]-4-oxobutanoyl]benzoate

2-[4-[2-[[3-[[4-[[[5-(6-Aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxidobutylidene]amino]-1-oxidopropylidene]amino]ethylsulfanyl]-4-oxobutanoyl]benzoate

C32H39N7O20P3S-5 (966.1183)


   
   

4-(2-carboxyphenyl)-4-oxobutanoyl-CoA(5-)

4-(2-carboxyphenyl)-4-oxobutanoyl-CoA(5-)

C32H39N7O20P3S (966.1183)


An acyl-CoA oxoanion that is the pentaanion of 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.