alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide

Properties Image MNX_ID MNXM163275 reference chebi:90380 formula C36H60N2O28*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](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@@H]([*])O MNX internals InChI (mnx) InChI=1/C38H66N2O28/c1-10(46)13(39-11(2)47)9-59-35-27(56)25(54)31(18(8-45)64-35)66-38-28(57)32(21(50)15(5-42)62-38)67-34-19(40-12(3)48)23(52)30(17(7-44)63-34)65-37-29(58)33(22(51)16(6-43)61-37)68-36-26(55)24(53)20(49)14(4-41)60-36/h10,13-38,41-46,49-58H,4-9H2,1-3H3,(H,39,47)(H,40,48)/t10-,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+/m1/s1/i1+1,2+1 SMILES (mnx) [13CH3:1][C@H:10]([C@H:13]([CH2:9][O:59][C@H:35]1[C@H:27]([OH:56])[C@@H:25]([OH:54])[C@H:31]([O:66][C@H:38]2[C@H:28]([OH:57])[C@@H:32]([O:67][C@H:34]3[C@H:19]([N:40]=[C:12]([CH3:3])[OH:48])[C@@H:23]([OH:52])[C@H:30]([O:65][C@H:37]4[C@H:29]([OH:58])[C@@H:33]([O:68][C@@H:36]5[C@H:26]([OH:55])[C@@H:24]([OH:53])[C@@H:20]([OH:49])[C@@H:14]([CH2:4][OH:41])[O:60]5)[C@@H:22]([OH:51])[C@@H:16]([CH2:6][OH:43])[O:61]4)[C@@H:17]([CH2:7][OH:44])[O:63]3)[C@@H:21]([OH:50])[C@@H:15]([CH2:5][OH:42])[O:62]2)[C@@H:18]([CH2:8][OH:45])[O:64]1)[N:39]=[C:11]([13CH3:2])[OH:47])[OH:46]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1