4-Coumaroyl-CoA

• CAT Number: M022812
• CAS Number: 119785-99-8
• PubChem Substance ID: 6440013
• Molecular Formula: C30H42N7O18P3S
• Molecular Weight: 913.68
• Purity: ≥95%
• 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
• InChI: InChI=1S/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-8,15-16,19,23-25,29,38,41-42H,9-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/b8-5+/t19-,23-,24-,25+,29-/m1/s1
• InChIKey: DMZOKBALNZWDKI-MATMFAIHSA-N
• SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CC4=CC=C(C=C4)O)O

4-Coumaroyl-CoA（Cat No.:M022812）is a key intermediate in the phenylpropanoid pathway, crucial for the biosynthesis of various plant secondary metabolites, including flavonoids, lignins, and coumarins. It is formed from 4-coumaric acid via the action of 4-coumarateligase. This compound plays a vital role in plant defense mechanisms, structural integrity, and pigmentation. Its involvement in producing bioactive compounds makes it significant in agricultural biotechnology and medicinal research, contributing to the development of crops with enhanced resistance to pests and diseases, as well as the production of beneficial phytochemicals.