(4-Coumaroyl)acetyl-CoA

cas: 2124213-48-3 — see every product listed under this CAS number, including other names

(4-Coumaroyl)acetyl-CoA (CAS 2124213-48-3) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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catalog numberHY-CE00339-Get quote
cas2124213-48-3
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Structural formula: {0} (CAS {1})

(4-coumaroyl)acetyl-CoA is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (4-coumaroyl)acetic acid. It is a conjugate acid of a (4-coumaroyl)acetyl-CoA(4-).

Source: ChEBI

Identity
Molecular formulaC32H44N7O19P3S
Molecular weight955.7 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)-5-(4-hydroxyphenyl)-3-oxopent-4-enethioate
InChIKeyFZWJGTSJBJBNKS-VVHSVQLPSA-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)CC(=O)/C=C/C4=CC=C(C=C4)O)O

Computed by PubChem (NCBI)

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