heme C

Compound Identifiers & Properties

PubChem CID

146020585

SMILES

C[C@H]1[C@]\2([SH+]1)C(/C/3=C/C4=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)C.[Fe+4]

Canonical SMILES

Cc1c2[n-]c(c1CCC(=O)O)/C=c1\[n-]/c(c(C)c1CCC(=O)O)=C\c1[n-]c(c(C)c1[C@H](C)S)/C=C1\[N-]/C(=C\2)C(C)[C@]12[SH+][C@H]2C.[Fe+4]