hydroxyferroheme i
Chemical Formula:
C49H56N4O7FE
Molecular Weight:
868.851 Daltons
Monoisotopic Mass:
870.3654923373001 Daltons
SMILES:
C=CC4(=C(C)C8([N+]5([Fe--]26([N+]1(C(C(C(O)O)=C(CCC(=O)[O-])C=1C=C3(N2C(C(C)=C(CCC(=O)[O-])3)=CC4=5))=CC7(=C(C)C(C(O)CCC=C(CCC=C(C)CCC=C(C)C)C)=C(N67)C=8))))))
InChI:
1S/C49H60N4O7.Fe/c1-9-33-30(6)37-24-42-47(44(54)18-12-17-29(5)16-11-15-28(4)14-10-13-27(2)3)32(8)38(52-42)25-43-48(49(59)60)35(20-22-46(57)58)41(53-43)26-40-34(19-21-45(55)56)31(7)36(51-40)23-39(33)50-37;/h9,13,15,17,23-26,44,49,54,59-60H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,55,56,57,58);/q;+2/p-4/b28-15+,29-17+,36-23-,37-24-,38-25-,39-23-,40-26-,41-26-,42-24-,43-25-;
InChIKey:
Databases
MetaCyc:
CPD-19776