alpha-D-GlcNAc-(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 MNXM1316 reference chebi:63807 formula C43H69N2O44S3* 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]7NC(C)=O)[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/C44H72N2O44S3/c1-8-17(52)19(54)14(7-76-8)81-42-26(61)30(20(55)11(4-48)78-42)84-43-27(62)31(21(56)12(5-49)79-43)83-41-24(59)23(58)32(35(87-41)37(63)64)85-40-16(46-91(67,68)69)29(89-92(70,71)72)28(13(6-50)80-40)82-44-34(90-93(73,74)75)25(60)33(36(88-44)38(65)66)86-39-15(45-9(2)51)22(57)18(53)10(3-47)77-39/h8,10-36,39-44,46-50,52-62H,3-7H2,1-2H3,(H,45,51)(H,63,64)(H,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)/t8-,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-,39+,40+,41+,42-,43-,44+/m0/s1/i1+1 SMILES (mnx) [13CH3:1][C@H:8]1[C@H:17]([OH:52])[C@@H:19]([OH:54])[C@H:14]([O:81][C@H:42]2[C@H:26]([OH:61])[C@@H:30]([O:84][C@H:43]3[C@H:27]([OH:62])[C@@H:31]([O:83][C@H:41]4[C@H:24]([OH:59])[C@@H:23]([OH:58])[C@H:32]([O:85][C@@H:40]5[C@H:16]([NH:46][S:91]([OH:67])(=[O:68])=[O:69])[C@@H:29]([O:89][S:92]([OH:70])(=[O:71])=[O:72])[C@H:28]([O:82][C@H:44]6[C@@H:34]([O:90][S:93]([OH:73])(=[O:74])=[O:75])[C@H:25]([OH:60])[C@@H:33]([O:86][C@@H:39]7[C@H:15]([N:45]=[C:9]([CH3:2])[OH:51])[C@@H:22]([OH:57])[C@H:18]([OH:53])[C@@H:10]([CH2:3][OH:47])[O:77]7)[C@@H:36]([C:38](=[O:65])[OH:66])[O:88]6)[C@@H:13]([CH2:6][OH:50])[O:80]5)[C@@H:35]([C:37](=[O:63])[OH:64])[O:87]4)[C@@H:21]([OH:56])[C@@H:12]([CH2:5][OH:49])[O:79]3)[C@@H:20]([OH:55])[C@@H:11]([CH2:4][OH:48])[O:78]2)[CH2:7][O:76]1

Parent-child relations graph

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