siroheme

Molecular Formula: C42H44FeN4O16


InChI: InChI=1/C42H46N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H10,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-2/t23-,24-,41+,42+;/m1./s1/fC42H44N4O16.Fe/h47,49,51,53,55,57,59,61H;/q-2;m/b26-13-,29-14-,30-16-,31-15-;

InChIKey: InChIKey=DLKSSIHHLYNIKN-IJEYXEHGDK
SMILES: C[C@]1(CC(O)=O)[C@H](CCC(O)=O)C2=CC3=[N]4C(=Cc5c(CC(O)=O)c(CCC(O)=O)c6C=C7C(CCC(O)=O)=C(CC(O)=O)C8=[N]7[Fe]4(N2C1=C8)n56)[C@@H](CCC(O)=O)[C@]3(C)CC(O)=O

Names:
    CHEBI:28599
    Sirohaem
    sirohaem
    siroheme
    Siroheme
    SIROHEME
    siroheme
    52553-42-1
    [3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-kappaN(21),kappaN(22),kappaN(23),kappaN(24)]tetrapropanoato(2-)]iron

Registries:
    PubChem CID 9548568
    ChEBI 28599
    chemPDB SRM
    COMe MOL000015
    Kegg C00748
    PubChem ID 4010
    PubChem ID 8144312