beta-D-IdoA-(1->4)-alpha-D-GlcNS3,6S2-(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 MNXM44037 reference chebi:63669 formula C47H75N2O58S6* 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](COS(=O)(=O)O)[C@@H](O[C@@H]8O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]8O)[C@H](OS(=O)(=O)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/C48H78N2O58S6/c1-7-15(54)16(55)11(5-90-7)95-46-25(64)31(17(56)8(2-51)92-46)100-47-26(65)32(18(57)9(3-52)93-47)99-45-23(62)21(60)33(37(104-45)40(68)69)101-42-13(49-109(72,73)74)29(106-112(81,82)83)27(10(4-53)94-42)98-48-36(108-114(87,88)89)24(63)34(38(105-48)41(70)71)102-43-14(50-110(75,76)77)30(107-113(84,85)86)28(12(96-43)6-91-111(78,79)80)97-44-22(61)19(58)20(59)35(103-44)39(66)67/h7-38,42-65H,2-6H2,1H3,(H,66,67)(H,68,69)(H,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)/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:54])[C@@H:16]([OH:55])[C@H:11]([O:95][C@H:46]2[C@H:25]([OH:64])[C@@H:31]([O:100][C@H:47]3[C@H:26]([OH:65])[C@@H:32]([O:99][C@H:45]4[C@H:23]([OH:62])[C@@H:21]([OH:60])[C@H:33]([O:101][C@@H:42]5[C@H:13]([NH:49][S:109]([OH:72])(=[O:73])=[O:74])[C@@H:29]([O:106][S:112]([OH:81])(=[O:82])=[O:83])[C@H:27]([O:98][C@H:48]6[C@@H:36]([O:108][S:114]([OH:87])(=[O:88])=[O:89])[C@H:24]([OH:63])[C@@H:34]([O:102][C@@H:43]7[C@H:14]([NH:50][S:110]([OH:75])(=[O:76])=[O:77])[C@@H:30]([O:107][S:113]([OH:84])(=[O:85])=[O:86])[C@H:28]([O:97][C@H:44]8[C@@H:22]([OH:61])[C@H:19]([OH:58])[C@@H:20]([OH:59])[C@@H:35]([C:39](=[O:66])[OH:67])[O:103]8)[C@@H:12]([CH2:6][O:91][S:111]([OH:78])(=[O:79])=[O:80])[O:96]7)[C@@H:38]([C:41](=[O:70])[OH:71])[O:105]6)[C@@H:10]([CH2:4][OH:53])[O:94]5)[C@@H:37]([C:40](=[O:68])[OH:69])[O:104]4)[C@@H:18]([OH:57])[C@@H:9]([CH2:3][OH:52])[O:93]3)[C@@H:17]([OH:56])[C@@H:8]([CH2:2][OH:51])[O:92]2)[CH2:5][O:90]1

Parent-child relations graph

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