(E)-S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) 3-(4-hydroxyphenyl)prop-2-enethioate, 95%

cas: 119785-99-8 — see every product listed under this CAS number, including other names

(E)-S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) 3-(4-hydroxyphenyl)prop-2-enethioate, 95% (CAS 119785-99-8) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg. Offered by: Chemat.

• 2D
• 3D

4-coumaroyl-CoA is the S-(4-coumaroyl) derivative of coenzyme A. It is a monounsaturated fatty acyl-CoA and a 2-enoyl-CoA. It is functionally related to a cinnamoyl-CoA and a 4-coumaric acid. It is a conjugate acid of a 4-coumaroyl-CoA(4-).

Source: ChEBI

Identity

Molecular formula	C30H42N7O18P3S
Molecular weight	913.7 g/mol
IUPAC name	S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-3-(4-hydroxyphenyl)prop-2-enethioate
InChIKey	DMZOKBALNZWDKI-MATMFAIHSA-N
SMILES	CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/C4=CC=C(C=C4)O)O

Computed by PubChem (NCBI)

Synonyms: p-Coumaroyl-CoA, coumaroyl-CoA, 4-Coumaroyl-coenzyme A, Coenzyme A, 4-coumaroyl-, Coenzyme A, S-(3-(4-hydroxyphenyl)-2-propenoate), (E)-, Coenzyme A, S-((2E)-3-(4-hydroxyphenyl)-2-propenoate), Coenzyme A, S-[(2E)-3-(4-hydroxyphenyl)-2-propenoate], 4-coumaroyl-CoA, trans-4-coumaroyl-CoA, p-Coumaryl-Coenzyme A

Related forms of this compound

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-(4-hydroxyphenyl)prop-2-enethioate C₃₀H₄₂N₇O₁₈P₃S

Isomers (same molecular formula)

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-oxo-3-phenylpropanethioate C₃₀H₄₂N₇O₁₈P₃S

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-(2-hydroxyphenyl)prop-2-enethioate C₃₀H₄₂N₇O₁₈P₃S