Fe-coproporphyrin III

Properties Image MNX_ID MNXM53152 reference chebi:68438 formula C36H32FeN4O8 global charge -4 mol weight 704.517 InChIKey SXDINBXHOHHTMY-JZIJWOOXSA-H InChI 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-; SMILES CC1=C(CCC(=O)[O-])C2=CC3=[N+]4C(=CC5=C(C)C(CCC(=O)[O-])=C6C=C7C(C)=C(CCC(=O)[O-])C8=[N+]7[Fe-2]4(N2C1=C8)N56)C(C)=C3CCC(=O)[O-] MNX internals InChI (mnx) InChI=1/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/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-; SMILES (mnx) [CH3:1][C:17]1=[C:21]([CH2:5][CH2:9][C:33](=[O:41])[OH:42])/[C:29]2=[CH:14]/[C:27]3=[C:19]([CH3:3])[C:22]([CH2:6][CH2:10][C:34](=[O:43])[OH:44])=[C:30](/[CH:15]=[C:28]4/[C:20]([CH3:4])=[C:24]([CH2:8][CH2:12][C:36](=[O:47])[OH:48])[C:32](=[N:40]4)/[CH:16]=[C:31]4/[C:23]([CH2:7][CH2:11][C:35](=[O:45])[OH:46])=[C:18]([CH3:2])[C:26](=[NH+:38]4)/[CH:13]=[C:25]/1[N-:37]2)[NH:39]3.[Fe+2:49]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 9 in models (compartimentalized) 3