4-Hydroxybenzoyl-coenzyme A

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

Also Known As: 4-Hydroxybenzoyl-coenzyme A; (Acyl-CoA); [M+H]+;

CAS: 27718-41-8

Molecular Formula	`C28H40N7O18P3S`
Molecular Weight	887.13635 g/mol
Exact Mass	887.13635

Chemical Identifiers

CAS Number	27718-41-8
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)C4=CC=C(C=C4)O)O`

Product Overview

4-Hydroxybenzoyl-coenzyme A (CAS 27718-41-8), with molecular formula C28H40N7O18P3S and molecular weight 887.13635 g/mol. IUPAC: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-hydroxybenzenecarbothioate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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