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

a [hydroxymethylbilane synthase] ES2 intermediate

Properties Image MNX_ID MNXM1134436 reference metacycM:Hydroxymethylbilane-Synthase-ES2 formula C43H41N5O17S*2 global charge -8 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](CSCc1[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]cc(CCC(=O)[O-])c4CC(=O)[O-])c(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/C45H55N5O17S/c1-21(51)36(46-2)19-68-20-37-29(14-45(66)67)25(6-10-41(58)59)33(50-37)17-35-28(13-44(64)65)24(5-9-40(56)57)32(49-35)16-34-27(12-43(62)63)23(4-8-39(54)55)31(48-34)15-30-26(11-42(60)61)22(18-47-30)3-7-38(52)53/h18,36,46-50H,3-17,19-20H2,1-2H3,(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,66,67)/t36-/m0/s1/i1+1,2+1 SMILES (mnx) [13CH2:1]([CH2:5][C:36]([NH2:50])=[O:51])[C:20]1=[CH:16][CH2:45][C:29]([CH2:13][c:30]2[c:22]([13CH2:2][CH2:6][C:37]([OH:52])=[O:53])[c:26]([CH2:10][C:41](=[O:60])[OH:61])[c:33]([CH2:14][c:31]3[c:23]([CH2:3][CH2:7][C:38]([OH:54])=[O:55])[c:27]([CH2:11][C:42](=[O:62])[OH:63])[c:34]([CH2:15][c:32]4[c:24]([CH2:4][CH2:8][C:39]([OH:56])=[O:57])[c:28]([CH2:12][C:43](=[O:64])[OH:65])[c:35]([CH2:19][O:66][CH2:18][C@H:21]([C:17](=[NH:49])[OH:67])[CH2:44][SH:68])[nH:48]4)[nH:47]3)[nH:46]2)=[C:25]1[CH2:9][C:40](=[O:58])[OH:59]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:Hydroxymethylbilane-Synthase-ES2 metacycM:Hydroxymethylbilane-Synthase-ES2	a [hydroxymethylbilane synthase] ES2 intermediate