heme C

Compound Identifiers & Properties

PubChem CID

105539854

SMILES

CC1=C2/C=C\3/C(=C(/C(=C/C4=C(C(=C([N-]4)/C=C\5/C(=C(\C)/S)/C(=C([N-]5)/C=C(/[C@H]1[C@H](C)S)\[N-]2)C)C)CCC(=O)O)/[N-]3)CCC(=O)O)C.[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)\c3=C(\C)S)/C=C(\[N-]2)[C@H]1[C@H](C)S.[Fe+4]