ferroheme i
Chemical Formula:
C49H56N4O6FE
Molecular Weight:
852.852 Daltons
Monoisotopic Mass:
854.3705777151999 Daltons
SMILES:
C=CC4(=C(C)C8([N+]5([Fe--]26([N+]1(C(C([CH]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/C49H60N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-26,46,54-55H,1,10-12,14,16,18-22,27H2,2-8H3,(H4,50,51,52,53,56,57,58,59);/q;+2/p-4/b29-15+,30-17+,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-;
InChIKey:
Databases
MetaCyc:
CPD-19775