Coenzyme A, S-[4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylate]

Compound Identifiers & Properties

CAS

1000061-96-0

PubChem CID

175675863

SMILES

CC(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)NCCS)OC(=O)[C@H]4CSC(=N4)C5=NC6=C(S5)C=C(C=C6)O

Canonical SMILES

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](OC(=O)[C@H]1CSC(c2nc3ccc(O)cc3s2)=N1)C(=O)NCCC(=O)NCCS