Exact Mass: 966.1545

Exact Mass Matches: 966.1545

Found 11 metabolites which its exact mass value is equals to given mass value 966.1545, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 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.

   

3-keto-indole-3-butyryl-CoA

3-keto-indole-3-butyryl-CoA

C33H45N8O18P3S (966.1785)


   

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)


   
   

Fluoro-Willardiine-CoA; (Acyl-CoA); [M+H]+

Fluoro-Willardiine-CoA; (Acyl-CoA); [M+H]+

C28H42FN10O19P3S (966.1545)


   

Captopril-CoA; (Acyl-CoA); [M+H]+

Captopril-CoA; (Acyl-CoA); [M+H]+

C30H49N8O18P3S2 (966.1819)


   

3-(Phosphonomethyl)Pyridine-2-Carboxylic Acid-CoA; (Acyl-CoA); [M+H]+

3-(Phosphonomethyl)Pyridine-2-Carboxylic Acid-CoA; (Acyl-CoA); [M+H]+

C28H42N8O20P4S (966.1186)


   

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.