Exact Mass: 913.152

Exact Mass Matches: 913.152

Found 11 metabolites which its exact mass value is equals to given mass value 913.152, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

4-Coumaroyl-CoA

4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-N-{2-[(2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}-3,3-dimethylbutanimidic acid

C30H42N7O18P3S (913.152)


4-Coumaroyl-CoA (CAS: 30802-00-7), also known as p-coumaroyl-CoA, belongs to the class of organic compounds known as 2-enoyl CoAs. These are organic compounds containing a coenzyme A substructure linked to a 2-enoyl chain. 4-Coumaroyl-CoA is a strong basic compound (based on its pKa). (E)-p-Coumaroyl-CoA, also known as trans-p-coumaroyl-CoA, is an important intermediate in various biological pathways, particularly in plants. It plays a key role in the biosynthesis of numerous secondary metabolites, including flavonoids and lignins. Structurally, it consists of a Coenzyme A (CoA) molecule esterified with trans-p-coumaric acid, a type of hydroxycinnamic acid. This compound is involved in the phenylpropanoid pathway, where it serves as a precursor for the synthesis of a wide range of compounds with diverse biological functions. The presence of the CoA group allows it to participate in enzymatic reactions, facilitating the transfer of the p-coumaroyl group to other molecules, thereby contributing to the synthesis of complex biochemical compounds. Coenzyme A, S-[(2E)-3-(4-hydroxyphenyl)-2-propenoate]. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=119785-99-8 (retrieved 2024-07-12) (CAS RN: 119785-99-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

benzoylacetyl-CoA

Benzoyl acetyl coenzyme A

C30H42N7O18P3S (913.152)


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of benzoylacetic acid.

   

Coumaroyl-CoA

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

C30H42N7O18P3S (913.152)


4-Coumaroyl-CoA belongs to the class of organic compounds known as 2-enoyl coas. These are organic compounds containing a coenzyme A substructure linked to a 2-enoyl chain. Thus, 4-coumaroyl-CoA is considered to be a fatty ester lipid molecule. 4-Coumaroyl-CoA is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

   

CoA 9:5;O

3-phosphoadenosine 5-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

C30H42N7O18P3S (913.152)


   

4-coumaroyl-CoA; (Acyl-CoA); [M+H]+

4-coumaroyl-CoA; (Acyl-CoA); [M+H]+

C30H42N7O18P3S (913.152)


   

Benzoyl acetyl-CoA; (Acyl-CoA); [M+H]+

Benzoyl acetyl-CoA; (Acyl-CoA); [M+H]+

C30H42N7O18P3S (913.152)


   

3-Phenylpyruvic Acid-CoA; (Acyl-CoA); [M+H]+

3-Phenylpyruvic Acid-CoA; (Acyl-CoA); [M+H]+

C30H42N7O18P3S (913.152)


   

trans-2-hydroxycinnamic acid-CoA; (Acyl-CoA); [M+H]+

trans-2-hydroxycinnamic acid-CoA; (Acyl-CoA); [M+H]+

C30H42N7O18P3S (913.152)


   

4-coumaroyl-CoA

4-coumaroyl-CoA

C30H42N7O18P3S (913.152)


The S-(4-coumaroyl) derivative of coenzyme A.

   

trans-4-Coumaroyl-CoA

trans-4-Coumaroyl-CoA

C30H42N7O18P3S (913.152)


A 4-coumaroyl-CoA in which the double bond of the coumaroyl group has trans-geochemistry.

   

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

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

C30H42N7O18P3S (913.152)