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

a [hydroxymethylbilane synthase] ES3 intermediate

Properties Image MNX_ID MNXM1134437 reference metacycM:Hydroxymethylbilane-Synthase-ES3 formula C53H50N6O21S*2 global charge -10 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](CSCc1[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(Cc5[nH]cc(CCC(=O)[O-])c5CC(=O)[O-])c(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/C55H66N6O21S/c1-25(62)44(56-2)23-83-24-45-35(17-55(81)82)30(7-12-50(71)72)40(61-45)21-43-34(16-54(79)80)29(6-11-49(69)70)39(60-43)20-42-33(15-53(77)78)28(5-10-48(67)68)38(59-42)19-41-32(14-52(75)76)27(4-9-47(65)66)37(58-41)18-36-31(13-51(73)74)26(22-57-36)3-8-46(63)64/h22,44,56-61H,3-21,23-24H2,1-2H3,(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)/t44-/m0/s1/i1+1,2+1 SMILES (mnx) [13CH3:1][C:25]([C@H:44]([CH2:23][S:83][CH2:24][c:45]1[c:35]([CH2:17][C:55](=[O:81])[OH:82])[c:30]([CH2:7][CH2:12][C:50]([OH:71])=[O:72])[c:40]([CH2:21][c:43]2[c:34]([CH2:16][C:54](=[O:79])[OH:80])[c:29]([CH2:6][CH2:11][C:49]([OH:69])=[O:70])[c:39]([CH2:20][c:42]3[c:33]([CH2:15][C:53](=[O:77])[OH:78])[c:28]([CH2:5][CH2:10][C:48]([OH:67])=[O:68])[c:38]([CH2:19][c:41]4[c:32]([CH2:14][C:52](=[O:75])[OH:76])[c:27]([CH2:4][CH2:9][C:47]([OH:65])=[O:66])[c:37]([CH2:18][c:36]5[c:31]([CH2:13][C:51](=[O:73])[OH:74])[c:26]([CH2:3][CH2:8][C:46]([OH:63])=[O:64])[cH:22][nH:57]5)[nH:58]4)[nH:59]3)[nH:60]2)[nH:61]1)[NH:56][13CH3:2])=[O:62]

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-ES3 metacycM:Hydroxymethylbilane-Synthase-ES3	a [hydroxymethylbilane synthase] ES3 intermediate