a 3-O-[beta-D-GlcA-(1->3)-beta-D-GalNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl]-L-seryl-[protein]

Properties Image MNX_ID MNXM148183 reference metacycM:GlcA-GalNAc-GlcA-Gal-Gal-Xyl-Proteins formula C40H60N2O33*2 global charge -2 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](CO[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](O[C@@H]6O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]6O)[C@H]5NC(C)=O)[C@H](O)[C@H]4O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)C([*])=O MNX internals InChI (mnx) InChI=1/C42H68N2O33/c1-9(48)11(43-3)7-66-38-24(57)17(50)15(8-67-38)71-41-27(60)30(19(52)13(5-46)69-41)74-42-28(61)31(20(53)14(6-47)70-42)73-40-26(59)23(56)32(34(77-40)36(64)65)75-37-16(44-10(2)49)29(18(51)12(4-45)68-37)72-39-25(58)21(54)22(55)33(76-39)35(62)63/h11-34,37-43,45-47,50-61H,4-8H2,1-3H3,(H,44,49)(H,62,63)(H,64,65)/t11-,12+,13+,14+,15+,16+,17-,18-,19-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30-,31-,32-,33-,34-,37-,38+,39+,40+,41-,42-/m0/s1/i1+1,3+1 SMILES (mnx) [13CH3:1][C:9]([C@H:11]([CH2:7][O:66][C@H:38]1[C@H:24]([OH:57])[C@@H:17]([OH:50])[C@H:15]([O:71][C@H:41]2[C@H:27]([OH:60])[C@@H:30]([O:74][C@H:42]3[C@H:28]([OH:61])[C@@H:31]([O:73][C@H:40]4[C@H:26]([OH:59])[C@@H:23]([OH:56])[C@H:32]([O:75][C@H:37]5[C@H:16]([N:44]=[C:10]([CH3:2])[OH:49])[C@@H:29]([O:72][C@H:39]6[C@H:25]([OH:58])[C@@H:21]([OH:54])[C@H:22]([OH:55])[C@@H:33]([C:35](=[O:62])[OH:63])[O:76]6)[C@@H:18]([OH:51])[C@@H:12]([CH2:4][OH:45])[O:68]5)[C@@H:34]([C:36](=[O:64])[OH:65])[O:77]4)[C@@H:20]([OH:53])[C@@H:14]([CH2:6][OH:47])[O:70]3)[C@@H:19]([OH:52])[C@@H:13]([CH2:5][OH:46])[O:69]2)[CH2:8][O:67]1)[NH:43][13CH3:3])=[O:48]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0