Compound Details

 Compound-ID 5211
 Common Name Siroheme
 InChI InChI=1S/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
 SMILES CC2(CC(=O)O)(c1cc5c(CC(O)=O)c(CCC(O)=O)c4cc6nc(cc3C(CCC(O)=O)C(C)(CC(O)=O)c(cc(n1)C2(CCC(O)=O))n3[Fe]n45)C(CC(O)=O)=C6(CCC(O)=O))
 External Links
 KEGG-COMPOUND-ID C00748
 PUBCHEM-ID 4010
 ChEBI-ID 28599
 BioModels 28599


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