beta-D-GlcA-(1->4)-alpha-D-GlcNS-(1->4)-beta-D-IdoA-(1->4)-alpha-D-GlcNS-(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 MNXM43969 reference chebi:63653 formula C47H75N2O46S2* 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]8O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7NS(=O)(=O)O)[C@@H](O)[C@@H]6O)[C@H](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/C48H78N2O46S2/c1-7-15(55)16(56)12(6-82-7)87-47-28(68)32(17(57)8(2-51)83-47)91-48-29(69)33(18(58)9(3-52)84-48)90-46-27(67)24(64)35(38(96-46)41(74)75)93-43-14(50-98(79,80)81)20(60)31(11(5-54)86-43)89-45-26(66)23(63)34(37(95-45)40(72)73)92-42-13(49-97(76,77)78)19(59)30(10(4-53)85-42)88-44-25(65)21(61)22(62)36(94-44)39(70)71/h7-38,42-69H,2-6H2,1H3,(H,70,71)(H,72,73)(H,74,75)(H,76,77,78)(H,79,80,81)/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+,35-,36-,37-,38-,42+,43+,44+,45+,46+,47-,48-/m0/s1/i1+1 SMILES (mnx) [13CH3:1][C@H:7]1[C@H:15]([OH:55])[C@@H:16]([OH:56])[C@H:12]([O:87][C@H:47]2[C@H:28]([OH:68])[C@@H:32]([O:91][C@H:48]3[C@H:29]([OH:69])[C@@H:33]([O:90][C@H:46]4[C@H:27]([OH:67])[C@@H:24]([OH:64])[C@H:35]([O:93][C@@H:43]5[C@H:14]([NH:50][S:98]([OH:79])(=[O:80])=[O:81])[C@@H:20]([OH:60])[C@H:31]([O:89][C@H:45]6[C@@H:26]([OH:66])[C@H:23]([OH:63])[C@@H:34]([O:92][C@@H:42]7[C@H:13]([NH:49][S:97]([OH:76])(=[O:77])=[O:78])[C@@H:19]([OH:59])[C@H:30]([O:88][C@H:44]8[C@H:25]([OH:65])[C@@H:21]([OH:61])[C@H:22]([OH:62])[C@@H:36]([C:39](=[O:70])[OH:71])[O:94]8)[C@@H:10]([CH2:4][OH:53])[O:85]7)[C@@H:37]([C:40](=[O:72])[OH:73])[O:95]6)[C@@H:11]([CH2:5][OH:54])[O:86]5)[C@@H:38]([C:41](=[O:74])[OH:75])[O:96]4)[C@@H:18]([OH:58])[C@@H:9]([CH2:3][OH:52])[O:84]3)[C@@H:17]([OH:57])[C@@H:8]([CH2:2][OH:51])[O:83]2)[CH2:6][O:82]1

Parent-child relations graph

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