(Gal)3 (Glc)1 (GlcNAc)1 (LFuc)1 (Cer)1

Properties Image MNX_ID MNXM7938 reference biggM:galfuc12gal14acglcgalgluside_hs formula C57H99N2O32* 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](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]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C58H102N2O32/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(68)28(59-26(3)66)24-81-54-46(79)43(76)48(34(23-65)87-54)88-57-47(80)50(39(72)32(21-63)85-57)90-53-35(60-27(4)67)49(38(71)31(20-62)83-53)89-58-52(92-55-44(77)41(74)36(69)25(2)82-55)51(40(73)33(22-64)86-58)91-56-45(78)42(75)37(70)30(19-61)84-56/h17-18,25,28-58,61-65,68-80H,5-16,19-24H2,1-4H3,(H,59,66)(H,60,67)/b18-17+/t25-,28-,29+,30+,31+,32+,33+,34+,35+,36+,37-,38+,39-,40-,41+,42-,43+,44-,45+,46+,47+,48+,49+,50-,51-,52+,53-,54+,55-,56+,57-,58-/m0/s1/i3+1 SMILES (mnx) [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]/[CH:17]=[CH:18]/[C@H:29]([C@H:28]([CH2:24][O:81][C@H:54]1[C@H:46]([OH:79])[C@@H:43]([OH:76])[C@H:48]([O:88][C@H:57]2[C@H:47]([OH:80])[C@@H:50]([O:90][C@H:53]3[C@H:35]([N:60]=[C:27]([CH3:4])[OH:67])[C@@H:49]([O:89][C@H:58]4[C@H:52]([O:92][C@H:55]5[C@@H:44]([OH:77])[C@H:41]([OH:74])[C@H:36]([OH:69])[C@H:25]([CH3:2])[O:82]5)[C@@H:51]([O:91][C@@H:56]5[C@H:45]([OH:78])[C@@H:42]([OH:75])[C@@H:37]([OH:70])[C@@H:30]([CH2:19][OH:61])[O:84]5)[C@@H:40]([OH:73])[C@@H:33]([CH2:22][OH:64])[O:86]4)[C@H:38]([OH:71])[C@@H:31]([CH2:20][OH:62])[O:83]3)[C@@H:39]([OH:72])[C@@H:32]([CH2:21][OH:63])[O:85]2)[C@@H:34]([CH2:23][OH:65])[O:87]1)[N:59]=[C:26]([13CH3:3])[OH:66])[OH:68]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 4