ferroheme o
Chemical Formula:
C49H56N4O5FE
Molecular Weight:
836.852 Daltons
Monoisotopic Mass:
838.3756630931 Daltons
SMILES:
C=CC4(=C(C)C8(=[N+]5([Fe--]26([N+]1(=C(C(C)=C(CCC(=O)[O-])C1=CC3(N2C(=C(C)C(CCC(=O)[O-])=3)C=C45))C=C7(C(C)=C(C(O)CCC=C(CCC=C(C)CCC=C(C)C)C)C(N67)=C8))))))
InChI:
1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,46,54H,1,11-13,15,17,19-23H2,2-9H3,(H4,50,51,52,53,55,56,57,58);/q;+2/p-4/b29-16+,30-18+,38-24-,39-25-,40-26-,41-24-,42-25-,43-27-,44-27-,45-26-;/t46-;/m0./s1
InChIKey:
Databases
MetaCyc:
CPD-17063
PubChem (CID):
51351651
ChEBI:
60530