Fe-coproporphyrin III

Chemical Formula:

C₃₆H₃₂N₄O₈FE

Molecular Weight:

704.518 Daltons

Monoisotopic Mass:

708.1882562532 Daltons

SMILES:

CC1(=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(=C(CCC([O-])=O)1)N([Fe--](N23)([N+]4=5)[N+]6=7)8))))))))

InChI:

1S/C36H38N4O8.Fe/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29;/h13-16H,5-12H2,1-4H3,(H6,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/p-6/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;

InChIKey:

SXDINBXHOHHTMY-RGGAHWMASA-H

Synonyms

coproheme III

Databases

MetaCyc: CPD-17070

ChEBI: 68438

PubChem (CID): 70678925

MetaNetX: MNXM53152

KEGG: C21284