heme C

Compound Identifiers & Properties

PubChem CID

137333958

SMILES

CC\1=C(C2[C@@H](C3=C(C(=C([N-]3)/C=C\4/C(=C(/C(=C/C5=C(C(=C([N-]5)/C=C1\[N-]2)C)[C@H](C)S)/[N-]4)C)[C@H](C)S)C)CCC(=O)O)N)CCC(=O)O.[Fe+4]

Canonical SMILES

CC1=C(CCC(=O)O)C2[N-]/C1=C\c1[n-]c(c([C@H](C)S)c1C)/C=c1\[n-]/c(c([C@H](C)S)c1C)=C\c1[n-]c(c(CCC(=O)O)c1C)[C@H]2N.[Fe+4]