heme C

Compound Identifiers & Properties

PubChem CID

166643168

SMILES

C[C@H]1/C/2=C/C3[C@]4([C@@H]([SH+]4)C)C(/C(=C/C5=C(C(=C([N-]5)/C=C\6/C(=C(/C(=C/C(=C1[C@H](C)S)[N-]2)/[N-]6)C)CCC(=O)O)CCC(=O)O)C)/[N-]3)C.[Fe+4]

Canonical SMILES

Cc1c2[n-]c(c1CCC(=O)O)/C=c1\[n-]/c(c(C)c1CCC(=O)O)=C\C1=C([C@H](C)S)[C@@H](C)/C(=C/C3[N-]/C(=C\2)C(C)[C@]32[SH+][C@H]2C)[N-]1.[Fe+4]