heme O
Molecular Formula:
C49H68FeN4O5
InChI: InChI=1/C49H68N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,31-34,36-37,41,43,45-46,49,54H,1,11-13,15,17,19-23H2,2-9H3,(H,55,56)(H,57,58);/q-4;+4/f/h55,57H;
InChIKey: InChIKey=AIEJNWITYKPISU-HZWUSAKKCT
SMILES: CC1C2C=C3C(C(C([N-]3)C=C4C(C(C(=CC5=C(C(C(=CC(C1C(CCC=C(C)CCC=C(C)CCC=C(C)C)O)[N-]2)[N-]5)C)C=C)[N-]4)C)CCC(=O)O)CCC(=O)O)C.[Fe+4]
Names:
heme O
HEME_O
Registries:
PubChem CID 11984599
PubChem ID 2788
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