heme C

Compound Identifiers & Properties

PubChem CID

138105887

SMILES

CC1=C2/C=C\3/C(=C([C@@H]([N-]3)/C=C/4\C(=C([C@H]([N-]4)/C=C\5/C(=C(/C(=C/[C@](C1CCC(=O)O)([N-]2)O)/[N-]5)CCC(=O)O)C)[C@H](C)S)C)[C@H](C)S)C.[Fe+4]

Canonical SMILES

CC1=C([C@H](C)S)[C@@H]2/C=C3/[N-][C@H](/C=c4\[n-]/c(c(CCC(=O)O)c4C)=C\[C@@]4(O)[N-]C(=C(C)C4CCC(=O)O)/C=C/1[N-]2)C([C@H](C)S)=C3C.[Fe+4]