heme C

Compound Identifiers & Properties

PubChem CID

138105895

SMILES

CC1=C2/C=C\3/[C@H](C(=C([N-]3)/C=C/4\C(=C(/C(=C/C5=C(C(=C([N-]5)/C=C(/[C@H]1[C@@H](C)S)\[N-]2)C)CCC(=O)O)/[N-]4)CCC(=O)O)C)C)[C@H](C)S.[Fe+4]

Canonical SMILES

CC1=C2/C=c3/[n-]/c(c(CCC(=O)O)c3C)=C\c3[n-]c(c(C)c3CCC(=O)O)/C=C3\[N-]C(=C(C)[C@@H]3[C@@H](C)S)/C=C(\[N-]2)[C@H]1[C@H](C)S.[Fe+4]