beta-D-GalNAc-(1->4)-beta-D-IdoA2S-(1->3)-beta-D-GalNAc4S-(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 MNXM1813 reference chebi:63517 formula C45H71N2O42S2* 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](OS(=O)(=O)O)[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]5NC(C)=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/C46H74N2O42S2/c1-9-19(55)21(57)16(8-76-9)81-44-28(64)32(22(58)13(5-50)78-44)84-45-29(65)33(23(59)14(6-51)79-45)83-43-26(62)25(61)34(37(87-43)39(66)67)85-42-18(48-11(3)54)31(30(15(7-52)80-42)89-91(70,71)72)82-46-36(90-92(73,74)75)27(63)35(38(88-46)40(68)69)86-41-17(47-10(2)53)24(60)20(56)12(4-49)77-41/h9,12-38,41-46,49-52,55-65H,4-8H2,1-3H3,(H,47,53)(H,48,54)(H,66,67)(H,68,69)(H,70,71,72)(H,73,74,75)/t9-,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-,41-,42-,43+,44-,45-,46+/m0/s1/i1+1 SMILES (mnx) [13CH3:1][C@H:9]1[C@H:19]([OH:55])[C@@H:21]([OH:57])[C@H:16]([O:81][C@H:44]2[C@H:28]([OH:64])[C@@H:32]([O:84][C@H:45]3[C@H:29]([OH:65])[C@@H:33]([O:83][C@H:43]4[C@H:26]([OH:62])[C@@H:25]([OH:61])[C@H:34]([O:85][C@H:42]5[C@H:18]([N:48]=[C:11]([CH3:3])[OH:54])[C@@H:31]([O:82][C@H:46]6[C@@H:36]([O:90][S:92]([OH:73])(=[O:74])=[O:75])[C@H:27]([OH:63])[C@@H:35]([O:86][C@H:41]7[C@H:17]([N:47]=[C:10]([CH3:2])[OH:53])[C@@H:24]([OH:60])[C@@H:20]([OH:56])[C@@H:12]([CH2:4][OH:49])[O:77]7)[C@@H:38]([C:40](=[O:68])[OH:69])[O:88]6)[C@@H:30]([O:89][S:91]([OH:70])(=[O:71])=[O:72])[C@@H:15]([CH2:7][OH:52])[O:80]5)[C@@H:37]([C:39](=[O:66])[OH:67])[O:87]4)[C@@H:23]([OH:59])[C@@H:14]([CH2:6][OH:51])[O:79]3)[C@@H:22]([OH:58])[C@@H:13]([CH2:5][OH:50])[O:78]2)[CH2:8][O:76]1

Parent-child relations graph

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