p–Coumaryl–Coenzyme A

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

p–Coumaryl–Coenzyme A (CAS 119785-99-8) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 15mg, 20mg, 5mg. Offered by: GLPBio.

brandGLPBio
catalog numberGC26670-10
cas119785-99-8
size10mg
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Available pack sizes

brand size price
GLPBio 10mg 3924.88 Pln
GLPBio 15mg 5329.03 Pln
GLPBio 20mg 6733.18 Pln
GLPBio 5mg 2380.31 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
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)

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

Also listed as

(E)-p-Coumaroyl-CoA TRC CAS 119785-99-8
p-Coumaryl-coenzyme A Biosynth CAS 119785-99-8
(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% Chemat CAS 119785-99-8