Products 119785-99-8

CAS 119785-99-8 appears in our catalog under these names: (E)-p-Coumaroyl-CoA, p–Coumaryl–Coenzyme A, p-Coumaryl-coenzyme A, (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%, 95%. Offered by: TRC, GLPBio, Biosynth, Chemat. Available pack sizes: 10mg, 15mg, 20mg, 5mg, 2mg, 1mg, 25mg.

Structural formula: {0} (CAS {1})

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 formulaC30H42N7O18P3S
Molecular weight913.7 g/mol
IUPAC nameS-[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
InChIKeyDMZOKBALNZWDKI-MATMFAIHSA-N
SMILESCC(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)