alpha-D-GlcN-(1->4)-beta-D-IdoA2S-(1->4)-alpha-D-GlcNS3S-(1->4)-beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl-yl group

Properties Image MNX_ID MNXM1650 reference chebi:63806 formula C41H67N2O43S3* global charge 0 mol weight   InChIKey   InChI   SMILES [*][C@@H]1OC[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7N)[C@@H](O)[C@@H]6OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]5NS(=O)(=O)O)[C@H](O)[C@H]4O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C42H70N2O43S3/c1-7-15(49)17(51)12(6-73-7)78-40-24(58)28(18(52)9(3-46)75-40)81-41-25(59)29(19(53)10(4-47)76-41)80-39-22(56)21(55)30(33(84-39)35(60)61)83-38-14(44-88(64,65)66)27(86-89(67,68)69)26(11(5-48)77-38)79-42-32(87-90(70,71)72)23(57)31(34(85-42)36(62)63)82-37-13(43)20(54)16(50)8(2-45)74-37/h7-34,37-42,44-59H,2-6,43H2,1H3,(H,60,61)(H,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)/t7-,8+,9+,10+,11+,12+,13+,14+,15-,16+,17-,18-,19-,20+,21+,22+,23+,24+,25+,26+,27+,28-,29-,30-,31+,32-,33-,34-,37+,38+,39+,40-,41-,42+/m0/s1/i1+1 SMILES (mnx) [13CH3:1][C@H:7]1[C@H:15]([OH:49])[C@@H:17]([OH:51])[C@H:12]([O:78][C@H:40]2[C@H:24]([OH:58])[C@@H:28]([O:81][C@H:41]3[C@H:25]([OH:59])[C@@H:29]([O:80][C@H:39]4[C@H:22]([OH:56])[C@@H:21]([OH:55])[C@H:30]([O:83][C@@H:38]5[C@H:14]([NH:44][S:88]([OH:64])(=[O:65])=[O:66])[C@@H:27]([O:86][S:89]([OH:67])(=[O:68])=[O:69])[C@H:26]([O:79][C@H:42]6[C@@H:32]([O:87][S:90]([OH:70])(=[O:71])=[O:72])[C@H:23]([OH:57])[C@@H:31]([O:82][C@@H:37]7[C@H:13]([NH2:43])[C@@H:20]([OH:54])[C@H:16]([OH:50])[C@@H:8]([CH2:2][OH:45])[O:74]7)[C@@H:34]([C:36](=[O:62])[OH:63])[O:85]6)[C@@H:11]([CH2:5][OH:48])[O:77]5)[C@@H:33]([C:35](=[O:60])[OH:61])[O:84]4)[C@@H:19]([OH:53])[C@@H:10]([CH2:4][OH:47])[O:76]3)[C@@H:18]([OH:52])[C@@H:9]([CH2:3][OH:46])[O:75]2)[CH2:6][O:73]1

Parent-child relations graph

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