harderoheme III
Chemical Formula:
C35H31N4O6FE
Molecular Weight:
659.5 Daltons
Monoisotopic Mass:
662.1827769448 Daltons
SMILES:
C=CC1(C(C)=C8(C=C4(C(C)=C(CCC([O-])=O)C5(C=C3(C(CCC([O-])=O)=C(C)C2(=CC7(C(CCC(=O)[O-])=C(C)C6(=CC=1N([Fe--](N23)([N+]4=5)[N+]6=7)8))))))))
InChI:
1S/C35H36N4O6.Fe/c1-6-21-17(2)25-13-26-18(3)23(8-11-34(42)43)31(37-26)16-32-24(9-12-35(44)45)20(5)28(39-32)15-30-22(7-10-33(40)41)19(4)27(38-30)14-29(21)36-25;/h6,13-16H,1,7-12H2,2-5H3,(H5,36,37,38,39,40,41,42,43,44,45);/q;+2/p-5/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKey:
Databases
MetaCyc:
CPD-21388
ChEBI:
142463
PubChem (CID):
134820392