Chemical Formula: C30H42N7O18P3S

Chemical Formula C30H42N7O18P3S

Found 10 metabolite its formula value is C30H42N7O18P3S

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 (913.1519822000001)


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 (913.1519822000001)


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 (913.1519822000001)


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 (913.1519822000001)


   

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

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

C30H42N7O18P3S (913.1519822000001)


   

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

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

C30H42N7O18P3S (913.1519822000001)


   

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

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

C30H42N7O18P3S (913.1519822000001)


   

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

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

C30H42N7O18P3S (913.1519822000001)


   

4-coumaroyl-CoA

4-coumaroyl-CoA

C30H42N7O18P3S (913.1519822000001)


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

   

trans-4-Coumaroyl-CoA

trans-4-Coumaroyl-CoA

C30H42N7O18P3S (913.1519822000001)


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