beta-D-IdoA-(1->4)-alpha-D-GlcNS-(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 MNXM44036 reference chebi:63661 formula C47H75N2O52S4* 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]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/C48H78N2O52S4/c1-7-15(55)16(56)12(6-86-7)91-46-26(66)31(17(57)8(2-51)87-46)95-47-27(67)32(18(58)9(3-52)88-47)94-45-24(64)22(62)33(37(99-45)40(70)71)96-43-14(50-104(77,78)79)30(101-105(80,81)82)29(11(5-54)90-43)93-48-36(102-106(83,84)85)25(65)34(38(100-48)41(72)73)97-42-13(49-103(74,75)76)19(59)28(10(4-53)89-42)92-44-23(63)20(60)21(61)35(98-44)39(68)69/h7-38,42-67H,2-6H2,1H3,(H,68,69)(H,70,71)(H,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)/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:91][C@H:46]2[C@H:26]([OH:66])[C@@H:31]([O:95][C@H:47]3[C@H:27]([OH:67])[C@@H:32]([O:94][C@H:45]4[C@H:24]([OH:64])[C@@H:22]([OH:62])[C@H:33]([O:96][C@@H:43]5[C@H:14]([NH:50][S:104]([OH:77])(=[O:78])=[O:79])[C@@H:30]([O:101][S:105]([OH:80])(=[O:81])=[O:82])[C@H:29]([O:93][C@H:48]6[C@@H:36]([O:102][S:106]([OH:83])(=[O:84])=[O:85])[C@H:25]([OH:65])[C@@H:34]([O:97][C@@H:42]7[C@H:13]([NH:49][S:103]([OH:74])(=[O:75])=[O:76])[C@@H:19]([OH:59])[C@H:28]([O:92][C@H:44]8[C@@H:23]([OH:63])[C@H:20]([OH:60])[C@@H:21]([OH:61])[C@@H:35]([C:39](=[O:68])[OH:69])[O:98]8)[C@@H:10]([CH2:4][OH:53])[O:89]7)[C@@H:38]([C:41](=[O:72])[OH:73])[O:100]6)[C@@H:11]([CH2:5][OH:54])[O:90]5)[C@@H:37]([C:40](=[O:70])[OH:71])[O:99]4)[C@@H:18]([OH:58])[C@@H:9]([CH2:3][OH:52])[O:88]3)[C@@H:17]([OH:57])[C@@H:8]([CH2:2][OH:51])[O:87]2)[CH2:6][O:86]1

Parent-child relations graph

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