coproporphyrin III

Properties Image MNX_ID MNXM164684 reference chebi:131725 formula C36H34N4O8 global charge -4 mol weight 650.688 InChIKey JWFCYWSMNRLXLX-UJJXFSCMSA-J InChI InChI=1S/C36H38N4O8/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/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/p-4/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- SMILES CC1=C2/C=C3\N=C(/C=C4\N/C(=C\C5=N/C(=C\C(=C1CCC(=O)[O-])N2)C(C)=C5CCC(=O)[O-])C(C)=C4CCC(=O)[O-])C(CCC(=O)[O-])=C3C MNX internals InChI (mnx) InChI=1/C36H38N4O8/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/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/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=[N:39]/[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](/[CH:16]=[C:31]5/[C:23]([CH2:7][CH2:11][C:35](=[O:45])[OH:46])=[C:18]([CH3:2])[C:26](=[N:38]5)/[CH:13]=[C:25]/1[NH:37]2)[NH:40]4)[C:22]([CH2:6][CH2:10][C:34](=[O:43])[OH:44])=[C:19]3[CH3:3]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 12 in models (compartimentalized) 8