**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

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[nH]c(Cc2[nH]c(Cc3[nH]cc(CCC(=O)[O-])c3CC(=O)[O-])c(CCC(=O)[O-])c2CC(=O)[O-])c(CCC(=O)[O-])c1CC(=O)[O-])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]([OH:45])=[O: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]([OH:43])=[O: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]([OH:41])=[O: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

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:Hydroxymethylbilane-Synthase-ES metacycM:Hydroxymethylbilane-Synthase-ES	a holo [hydroxymethylbilane synthase] ES intermediate