verdoheme
Chemical Formula:
C33H29N4O5FE
Molecular Weight:
617.463 Daltons
Monoisotopic Mass:
619.1643872264001 Daltons
SMILES:
C=CC5(=C(C)C8([N+]6([Fe--]13(N7(C(=C(C=C)C(C)=C(C=C2(C(C)=C(CCC(=O)[O-])C(=[N+]12)C=C4(N3C(C(C)=C(CCC(=O)[O-])4)=CC5=6)))7)[O+]=8)))))
InChI:
1S/C33H32N4O5.Fe/c1-7-20-19(6)32-37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(36-26)42-32;/h7-8,13-15H,1-2,9-12H2,3-6H3,(H3-,34,35,36,37,38,39,40,41);/q;+2/p-3/b24-13-,25-14-,26-13-,27-14-,28-15-,29-15-;
InChIKey:
Databases
MetaCyc:
CPD-19719
PubChem (CID):
126961022