heme C

Compound Identifiers & Properties

PubChem CID

154815518

SMILES

CC1[C@]\2([SH+]1)C(=C3/C=C\4/C(=C)C(=C([N-]4)/C=C\5/C(=C(/C(=C/C6=C(C(=C([N-]6)/C=C2\[N-]3)C)[C@H](C)S)/[N-]5)C)CCC(=O)O)CCC(=O)O)C.[Fe+4]

Canonical SMILES

C=c1c(CCC(=O)O)c2[n-]/c1=C\C1=C(C)[C@]3([SH+]C3C)/C(=C/c3[n-]c(c([C@H](C)S)c3C)/C=c3\[n-]/c(c(CCC(=O)O)c3C)=C\2)[N-]1.[Fe+4]