heme C

Compound Identifiers & Properties

PubChem CID

175684246

SMILES

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

Canonical SMILES

CC1=C2/C=c3\[n-]/c(c(C)c3[C@H](C)S)=C\c3[n-]c(c(CCC(=O)O)c3C)/C=c3\[n-]/c(c(C)c3CCC(=O)O)=C\C([N-]2)[C@@]12[SH+][C@H]2C.[Fe+4]