α-hydroxyheme
Chemical Formula:
C34H30N4O5FE
Molecular Weight:
630.482 Daltons
Monoisotopic Mass:
632.1722122584999 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)C(O)=8)))))
InChI:
1S/C34H34N4O5.Fe/c1-7-20-19(6)32-34(43)33-21(8-2)16(3)26(37-33)13-24-17(4)22(9-11-30(39)40)28(35-24)15-29-23(10-12-31(41)42)18(5)25(36-29)14-27(20)38-32;/h7-8,13-15H,1-2,9-12H2,3-6H3,(H5,35,36,37,38,39,40,41,42,43);/q;+2/p-4/b24-13-,25-14-,26-13-,27-14-,28-15-,29-15-,34-32+,34-33+;
InChIKey:
Databases
MetaCyc:
CPD-19720