heme C

Compound Identifiers & Properties

PubChem CID

138105880

SMILES

CC\1=C2C[C@]3(/C(=C(\C)/S)/C(=C([N-]3)/C=C/4\C(=C([C@H]([N-]4)/C=C/5\C(=C(/C(=C/[C@H](/C1=C(/C)\S)[N-]2)/[N-]5)C)CCC(=O)O)CCC(=O)O)C)C)O.[Fe+4]

Canonical SMILES

CC1=C2C[C@]3(O)[N-]C(=C(C)/C3=C(/C)S)/C=C3/[N-][C@H](/C=c4/[n-]/c(c(C)c4CCC(=O)O)=C\[C@@H]([N-]2)/C1=C(/C)S)C(CCC(=O)O)=C3C.[Fe+4]