3-oxo-5,6-dehydrosuberyl-CoA(5-)

Compound Identifiers & Properties

PubChem CID

139031574

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(=NCCC(=NCCSC(=O)CC(=O)CC=CCC(=O)[O-])[O-])[O-])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](O)C([O-])=NCCC([O-])=NCCSC(=O)CC(=O)CC=CCC(=O)[O-]