Fuc-alpha1->2Gal-beta1->3GlcNAc-beta1->3Gal-beta1->4Glc-beta1-1'Cer

Properties Image MNX_ID MNXM1089016 reference biggM:M02195 formula C51H89N2O27* 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]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C52H92N2O27/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(61)27(53-25(3)59)23-72-49-42(70)39(67)45(31(21-57)76-49)79-51-43(71)40(68)44(32(22-58)77-51)78-48-33(54-26(4)60)46(36(64)30(20-56)74-48)80-52-47(38(66)35(63)29(19-55)75-52)81-50-41(69)37(65)34(62)24(2)73-50/h17-18,24,27-52,55-58,61-71H,5-16,19-23H2,1-4H3,(H,53,59)(H,54,60)/b18-17+/t24-,27-,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-/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:28]([C@H:27]([CH2:23][O:72][C@H:49]1[C@H:42]([OH:70])[C@@H:39]([OH:67])[C@H:45]([O:79][C@H:51]2[C@H:43]([OH:71])[C@@H:40]([OH:68])[C@@H:44]([O:78][C@H:48]3[C@H:33]([N:54]=[C:26]([CH3:4])[OH:60])[C@@H:46]([O:80][C@H:52]4[C@H:47]([O:81][C@H:50]5[C@@H:41]([OH:69])[C@H:37]([OH:65])[C@H:34]([OH:62])[C@H:24]([CH3:2])[O:73]5)[C@@H:38]([OH:66])[C@@H:35]([OH:63])[C@@H:29]([CH2:19][OH:55])[O:75]4)[C@H:36]([OH:64])[C@@H:30]([CH2:20][OH:56])[O:74]3)[C@@H:32]([CH2:22][OH:58])[O:77]2)[C@@H:31]([CH2:21][OH:57])[O:76]1)[N:53]=[C:25]([13CH3:3])[OH:59])[OH:61]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 3