DL-3- Hydroxybutyryl coenzyme A lithium salt

Compound Identifiers & Properties

CAS

103404-51-9

PubChem CID

133655801

SMILES

[Li+].[Li+].[Li+].CC(CC(=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)O

Canonical SMILES

CC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](O)C(C)(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-].[Li+].[Li+].[Li+]