hydroxymethylbilane

Properties Image MNX_ID MNXM547 reference chebi:57845 formula C40H38N4O17 global charge -8 mol weight 846.755 InChIKey WDFJYRZCZIUBPR-UHFFFAOYSA-F InChI InChI=1S/C40H46N4O17/c45-17-32-25(12-40(60)61)21(4-8-36(52)53)29(44-32)15-31-24(11-39(58)59)20(3-7-35(50)51)28(43-31)14-30-23(10-38(56)57)19(2-6-34(48)49)27(42-30)13-26-22(9-37(54)55)18(16-41-26)1-5-33(46)47/h16,41-45H,1-15,17H2,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/p-8 SMILES O=C([O-])CCC1=CNC(CC2=C(CCC(=O)[O-])C(CC(=O)[O-])=C(CC3=C(CCC(=O)[O-])C(CC(=O)[O-])=C(CC4=C(CCC(=O)[O-])C(CC(=O)[O-])=C(CO)N4)N3)N2)=C1CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C40H46N4O17/c45-17-32-25(12-40(60)61)21(4-8-36(52)53)29(44-32)15-31-24(11-39(58)59)20(3-7-35(50)51)28(43-31)14-30-23(10-38(56)57)19(2-6-34(48)49)27(42-30)13-26-22(9-37(54)55)18(16-41-26)1-5-33(46)47/h16,41-45H,1-15,17H2,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61) SMILES (mnx) [CH2:1]([CH2:5][C:33](=[O:46])[OH:47])[C:18]1=[CH:16][NH:41][C:26]([CH2:13][C:27]2=[C:19]([CH2:2][CH2:6][C:34](=[O:48])[OH:49])[C:23]([CH2:10][C:38](=[O:56])[OH:57])=[C:30]([CH2:14][C:28]3=[C:20]([CH2:3][CH2:7][C:35](=[O:50])[OH:51])[C:24]([CH2:11][C:39](=[O:58])[OH:59])=[C:31]([CH2:15][C:29]4=[C:21]([CH2:4][CH2:8][C:36](=[O:52])[OH:53])[C:25]([CH2:12][C:40](=[O:60])[OH:61])=[C:32]([CH2:17][OH:45])[NH:44]4)[NH:43]3)[NH:42]2)=[C:22]1[CH2:9][C:37](=[O:54])[OH:55]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 10