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=C(CC(=O)[O-])C(CCC(=O)[O-])=C(CC2=C(CC(=O)[O-])C(CCC(=O)[O-])=C(CC3=C(CC(=O)[O-])C(CCC(=O)[O-])=C(CC4=C(CC(=O)[O-])C(CCC(=O)[O-])=CN4)N3)N2)N1)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) [13CH3:1][C:21]([C@H:36]([CH2:19][S:68][CH2:20][C:37]1=[C:29]([CH2:14][C:45](=[O:66])[OH:67])[C:25]([CH2:6][CH2:10][C:41](=[O:58])[OH:59])=[C:33]([CH2:17][C:35]2=[C:28]([CH2:13][C:44](=[O:64])[OH:65])[C:24]([CH2:5][CH2:9][C:40](=[O:56])[OH:57])=[C:32]([CH2:16][C:34]3=[C:27]([CH2:12][C:43](=[O:62])[OH:63])[C:23]([CH2:4][CH2:8][C:39](=[O:54])[OH:55])=[C:31]([CH2:15][C:30]4=[C:26]([CH2:11][C:42](=[O:60])[OH:61])[C:22]([CH2:3][CH2:7][C:38](=[O:52])[OH:53])=[CH:18][NH:47]4)[NH:48]3)[NH:49]2)[NH:50]1)[NH:46][13CH3:2])=[O:51]

Parent-child relations graph

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