**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) [13CH2:1]([CH2:4][C:28]([NH2:39])=[O:40])[C:16]1=[CH:12][CH2:35][C:23]([CH2:10][c:24]2[c:18]([13CH2:2][CH2:5][C:29]([OH:41])=[O:42])[c:21]([CH2:8][C:32](=[O:47])[OH:48])[c:26]([CH2:11][c:25]3[c:19]([CH2:3][CH2:6][C:30]([OH:43])=[O:44])[c:22]([CH2:9][C:33](=[O:49])[OH:50])[c:27]([CH2:15][O:51][CH2:14][CH:17]([C:13](=[NH:38])[OH:52])[CH2:34][SH:53])[nH:37]3)[nH:36]2)=[C:20]1[CH2:7][C:31](=[O:45])[OH:46]

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