heme C

Compound Identifiers & Properties

PubChem CID

49817358

SMILES

C[C@H]1/C/2=C/C3=C(C(=C([N-]3)/C=C\4/C(=C(/C(=C/C5=C(C(=C([N-]5)/C=C(/[C@]16C([SH+]6)C)\[N-]2)C)[C@H](C)S)/[N-]4)C)CCC(=O)O)CCC(=O)O)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@H](C)[C@]12[SH+]C2C.[Fe+4]