a globoside Gb4Cer

Properties Image MNX_ID MNXM162686 reference chebi:88167 formula C30H50N2O23*2 global charge 0 mol weight   InChIKey   InChI   SMILES [*]C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@@H]([*])O MNX internals InChI (mnx) InChI=1/C32H56N2O23/c1-9(39)12(33-10(2)40)8-50-30-23(47)21(45)26(15(6-37)53-30)55-31-24(48)22(46)27(16(7-38)54-31)56-32-25(49)28(19(43)14(5-36)52-32)57-29-17(34-11(3)41)20(44)18(42)13(4-35)51-29/h9,12-32,35-39,42-49H,4-8H2,1-3H3,(H,33,40)(H,34,41)/t9-,12+,13-,14-,15-,16-,17-,18+,19+,20-,21-,22-,23-,24-,25-,26-,27+,28+,29+,30-,31+,32-/m1/s1/i1+1,2+1 SMILES (mnx) [13CH3:1][C@H:9]([C@H:12]([CH2:8][O:50][C@H:30]1[C@H:23]([OH:47])[C@@H:21]([OH:45])[C@H:26]([O:55][C@H:31]2[C@H:24]([OH:48])[C@@H:22]([OH:46])[C@@H:27]([O:56][C@@H:32]3[C@H:25]([OH:49])[C@@H:28]([O:57][C@H:29]4[C@H:17]([N:34]=[C:11]([CH3:3])[OH:41])[C@@H:20]([OH:44])[C@@H:18]([OH:42])[C@@H:13]([CH2:4][OH:35])[O:51]4)[C@@H:19]([OH:43])[C@@H:14]([CH2:5][OH:36])[O:52]3)[C@@H:16]([CH2:7][OH:38])[O:54]2)[C@@H:15]([CH2:6][OH:37])[O:53]1)[N:33]=[C:10]([13CH3:2])[OH:40])[OH:39]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 2