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ferroheme a(2-)

Properties Image MNX_ID MNXM1583684 reference chebi:61715 formula C49H54FeN4O6 global charge -2 mol weight 850.838 InChIKey   InChI   SMILES C=CC1=C(C)C2=Cc3c([C@@H](O)CC/C=C(/C)CC/C=C(/C)CCC=C(C)C)c(C)c4n3[Fe]35<-N2=C1C=c1c(C)c(CCC(=O)[O-])c(n13)=CC1=N->5C(=C4)C(C=O)=C1CCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C49H58N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-27,46,51-52,55H,1,10-12,14,16,18-22H2,2-8H3,(H,56,57)(H,58,59);/q;+2/b29-15-,30-17-,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-;/t46-;/m0./s1 SMILES (mnx) [CH2:1]=[CH:9][C:34]1=[C:31]([CH3:6])[c:39]2[cH:25][c:45]3[c:49]([C@H:46]([CH2:18][CH2:12]/[CH:17]=[C:30](/[CH3:5])[CH2:16][CH2:11]/[CH:15]=[C:29](/[CH3:4])[CH2:14][CH2:10][CH:13]=[C:28]([CH3:2])[CH3:3])[OH:55])[c:33]([CH3:8])[c:40]([cH:24][c:44]4[n:53][c:43]([cH:26][c:42]5[c:35]([CH2:19][CH2:21][C:47](=[O:56])[OH:57])[c:32]([CH3:7])[c:38]([cH:23][c:41]1[n:50]2)[nH:51]5)[C:36]([CH2:20][CH2:22][C:48](=[O:58])[OH:59])=[C:37]4[CH:27]=[O:54])[nH:52]3.[Fe+2:60]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 1

Similar chemical compounds in external resources

Identifier	Description
reactome:R-ALL-9864492 reactomeM:R-ALL-9864492 CHEBI:61715 chebi:61715	ferroheme a(2-) Fe(II)-heme a [3,3'-{7-ethenyl-17-formyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13-trimethylporphyrin-2,18-diyl-kappa(4)N(21),N(22),N(23),N(24)}dipropanoato(4-)]ferrate(2-)