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Chemical structure of Butyryl Coenzyme A (sodium salt)

GC42998

Butyryl Coenzyme A (sodium salt)

Butyryl-Coenzyme A (Butyryl CoA) sodium is a coenzyme A-containing derivative of Butyric acid

ChemicalCAS125527-24-4MW860.6FormulaC25H42N7O17P3S•Na
CAS number
125527-24-4
Molecular weight
860.6
Formula
C25H42N7O17P3S•Na
Solubility
Ethanol： Partially soluble,PBS (pH 7·2)： 10 mg/ml
InChIKey
FTNBRLSMPYVYHA-XXXNBSBMSA-N
Catalogue number
GC42998
Brand
GLPBIO
Computed properties PubChem CID 156589033 · TPSA 389 Ų · H-bond donors 9 · H-bond acceptors 22
TPSA
389 Ų
H-bond donors
9
H-bond acceptors
22
Rotatable bonds
22
Heavy atoms
54

SMILES CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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)O.[Na]

Computed descriptors from PubChem (CID 156589033), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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