{4)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-beta-D-Glcp-(1->4)-[beta-D-Glcp-(1->3)]-beta-D-Galp-(1->4)-beta-D-Glcp-(1->}n

Properties Image MNX_ID MNXM39825 reference chebi:61780 formula C49H80N2O38*2 global charge 0 mol weight   InChIKey   InChI   SMILES [*]O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H]([*])O[C@@H]3CO)O[C@@H]2CO)O[C@@H]1CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O MNX internals InChI (mnx) InChI=1/C51H86N2O38/c1-13-26(64)32(70)40(20(9-57)80-13)87-49-37(75)44(89-46-34(72)31(69)28(66)18(7-55)81-46)41(22(11-59)84-49)88-47-35(73)33(71)38(78-4)23(85-47)12-79-45-25(53-15(3)61)30(68)39(21(10-58)83-45)86-48-36(74)43(29(67)19(8-56)82-48)91-51(50(76)77)5-16(62)24(52-14(2)60)42(90-51)27(65)17(63)6-54/h13,16-49,54-59,62-75H,5-12H2,1-4H3,(H,52,60)(H,53,61)(H,76,77)/t13-,16-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27+,28+,29-,30+,31-,32+,33+,34+,35+,36+,37+,38+,39+,40+,41-,42+,43-,44+,45+,46-,47+,48-,49-,51-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C@H:13]1[C@H:26]([OH:64])[C@@H:32]([OH:70])[C@H:40]([O:87][C@H:49]2[C@H:37]([OH:75])[C@@H:44]([O:89][C@H:46]3[C@H:34]([OH:72])[C@@H:31]([OH:69])[C@H:28]([OH:66])[C@@H:18]([CH2:7][OH:55])[O:81]3)[C@@H:41]([O:88][C@@H:47]3[C@H:35]([OH:73])[C@@H:33]([OH:71])[C@H:38]([O:78][13CH3:4])[C@@H:23]([CH2:12][O:79][C@H:45]4[C@H:25]([N:53]=[C:15]([CH3:3])[OH:61])[C@@H:30]([OH:68])[C@H:39]([O:86][C@H:48]5[C@H:36]([OH:74])[C@@H:43]([O:91][C@:51]6([C:50](=[O:76])[OH:77])[CH2:5][C@H:16]([OH:62])[C@@H:24]([N:52]=[C:14]([CH3:2])[OH:60])[C@H:42]([C@@H:27]([C@@H:17]([CH2:6][OH:54])[OH:63])[OH:65])[O:90]6)[C@@H:29]([OH:67])[C@@H:19]([CH2:8][OH:56])[O:82]5)[C@@H:21]([CH2:10][OH:58])[O:83]4)[O:85]3)[C@@H:22]([CH2:11][OH:59])[O:84]2)[C@@H:20]([CH2:9][OH:57])[O:80]1

Parent-child relations graph

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