coproporphyrinogen III

Properties Image MNX_ID MNXM735625 reference chebi:57309 formula C36H40N4O8 global charge -4 mol weight 656.736 InChIKey NIUVHXTXUXOFEB-UHFFFAOYSA-J InChI InChI=1S/C36H44N4O8/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/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/p-4 SMILES CC1=C2CC3=C(C)C(CCC(=O)[O-])=C(CC4=C(CCC(=O)[O-])C(C)=C(CC5=C(CCC(=O)[O-])C(C)=C(CC(=C1CCC(=O)[O-])N2)N5)N4)N3 MNX internals InChI (mnx) InChI=1/C36H44N4O8/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/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48) SMILES (mnx) [CH3:1][C:17]1=[C:25]2[CH2:13][C:26]3=[C:18]([CH3:2])[C:23]([CH2:7][CH2:11][C:35](=[O:45])[OH:46])=[C:31]([CH2:16][C:32]4=[C:24]([CH2:8][CH2:12][C:36](=[O:47])[OH:48])[C:20]([CH3:4])=[C:28]([CH2:15][C:30]5=[C:22]([CH2:6][CH2:10][C:34](=[O:43])[OH:44])[C:19]([CH3:3])=[C:27]([CH2:14][C:29](=[C:21]1[CH2:5][CH2:9][C:33](=[O:41])[OH:42])[NH:37]2)[NH:39]5)[NH:40]4)[NH:38]3

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 16 in models (compartimentalized) 12