a holo-[hydroxymethylbilane synthase]

Properties Image MNX_ID MNXM1134427 reference metacycM:Holo-Hydroxymethylbilane-Synthase formula C23H23N3O9S*2 global charge -4 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-])=CN2)N1)C([*])=O MNX internals InChI (mnx) InChI=1/C25H33N3O9S/c1-13(29)20(26-2)11-38-12-21-17(8-25(36)37)15(4-6-23(32)33)19(28-21)9-18-16(7-24(34)35)14(10-27-18)3-5-22(30)31/h10,20,26-28H,3-9,11-12H2,1-2H3,(H,30,31)(H,32,33)(H,34,35)(H,36,37)/t20-/m0/s1/i1+1,2+1 SMILES (mnx) [13CH3:1][C:13]([C@H:20]([CH2:11][S:38][CH2:12][C:21]1=[C:17]([CH2:8][C:25](=[O:36])[OH:37])[C:15]([CH2:4][CH2:6][C:23](=[O:32])[OH:33])=[C:19]([CH2:9][C:18]2=[C:16]([CH2:7][C:24](=[O:34])[OH:35])[C:14]([CH2:3][CH2:5][C:22](=[O:30])[OH:31])=[CH:10][NH:27]2)[NH:28]1)[NH:26][13CH3:2])=[O:29]

Parent-child relations graph

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