a holo [hydroxymethylbilane synthase] ES intermediate

Properties Image MNX_ID MNXM1134435 reference metacycM:Hydroxymethylbilane-Synthase-ES formula C33H32N4O13S*2 global charge -6 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](CSCC1=C(CC(=O)[O-])C(CCC(=O)[O-])=C(CC2=C(CC(=O)[O-])C(CCC(=O)[O-])=C(CC3=C(CC(=O)[O-])C(CCC(=O)[O-])=CN3)N2)N1)C([*])=O MNX internals InChI (mnx) InChI=1/C35H44N4O13S/c1-17(40)28(36-2)15-53-16-29-23(11-35(51)52)20(5-8-32(45)46)26(39-29)13-27-22(10-34(49)50)19(4-7-31(43)44)25(38-27)12-24-21(9-33(47)48)18(14-37-24)3-6-30(41)42/h14,28,36-39H,3-13,15-16H2,1-2H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)/t28-/m0/s1/i1+1,2+1 SMILES (mnx) [13CH3:1][C:17]([C@H:28]([CH2:15][S:53][CH2:16][C:29]1=[C:23]([CH2:11][C:35](=[O:51])[OH:52])[C:20]([CH2:5][CH2:8][C:32](=[O:45])[OH:46])=[C:26]([CH2:13][C:27]2=[C:22]([CH2:10][C:34](=[O:49])[OH:50])[C:19]([CH2:4][CH2:7][C:31](=[O:43])[OH:44])=[C:25]([CH2:12][C:24]3=[C:21]([CH2:9][C:33](=[O:47])[OH:48])[C:18]([CH2:3][CH2:6][C:30](=[O:41])[OH:42])=[CH:14][NH:37]3)[NH:38]2)[NH:39]1)[NH:36][13CH3:2])=[O:40]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0