ferrileghemoglobin
Chemical Formula:
C36H36N4O2FE
Molecular Weight:
612.553 Daltons
Monoisotopic Mass:
612.2187685206 Daltons
SMILES:
C=CC3(=C8(N2([Fe+++]46([N+]1(=C(C(=C(C1=CC2=C3C)C)CCC(C)=O)C=C5(N4C(C(=C5CCC(=O)C)C)=CC7(=[N+]6C(C(=C7C=C)C)=C8)))))))
InChI:
1S/C36H36N4O2.Fe/c1-9-25-21(5)29-15-30-23(7)27(13-11-19(3)41)35(39-30)18-36-28(14-12-20(4)42)24(8)32(40-36)17-34-26(10-2)22(6)31(38-34)16-33(25)37-29;/h9-10,15-18H,1-2,11-14H2,3-8H3;/q-2;+7/b29-15-,30-15-,31-16-,32-17-,33-16-,34-17-,35-18-,36-18-;
InChIKey:
Databases
MetaCyc:
CPD-10494
ChemSpider:
10128092
PubChem (CID):
11953791
KEGG:
C02683
ChEBI:
17423
Seed:
cpd12158
MetaNetX:
MNXM91193