uroporphyrinogen III

Properties Image MNX_ID MNXM414 reference chebi:57308 formula C40H36N4O16 global charge -8 mol weight 828.74 InChIKey HUHWZXWWOFSFKF-UHFFFAOYSA-F InChI InChI=1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/p-8 SMILES O=C([O-])CCC1=C2CC3=C(CCC(=O)[O-])C(CC(=O)[O-])=C(CC4=C(CC(=O)[O-])C(CCC(=O)[O-])=C(CC5=C(CC(=O)[O-])C(CCC(=O)[O-])=C(CC(=C1CC(=O)[O-])N2)N5)N4)N3 MNX internals InChI (mnx) InChI=1/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60) SMILES (mnx) [CH2:1]([CH2:5][C:33](=[O:45])[OH:46])[C:17]1=[C:25]2[CH2:13][C:26]3=[C:18]([CH2:2][CH2:6][C:34](=[O:47])[OH:48])[C:23]([CH2:11][C:39](=[O:57])[OH:58])=[C:31]([CH2:16][C:32]4=[C:24]([CH2:12][C:40](=[O:59])[OH:60])[C:20]([CH2:4][CH2:8][C:36](=[O:51])[OH:52])=[C:28]([CH2:15][C:30]5=[C:22]([CH2:10][C:38](=[O:55])[OH:56])[C:19]([CH2:3][CH2:7][C:35](=[O:49])[OH:50])=[C:27]([CH2:14][C:29](=[C:21]1[CH2:9][C:37](=[O:53])[OH:54])[NH:41]2)[NH:43]5)[NH:44]4)[NH:42]3

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 20 in models (compartimentalized) 13