(Gal)3 (Glc)1 (GlcNAc)1 (LFuc)2 (Cer)1

Properties Image MNX_ID MNXM7939 reference biggM:fucgalfucgalacglcgalgluside_hs formula C63H109N2O36* 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](C)[C@@H](O)[C@@H](O)[C@@H]4O)[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/C64H112N2O36/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(74)30(65-28(4)72)25-89-59-50(87)46(83)52(35(23-70)96-59)97-63-51(88)55(41(78)33(21-68)93-63)100-58-37(66-29(5)73)54(53(36(24-71)95-58)98-60-47(84)43(80)38(75)26(2)90-60)99-64-57(102-61-48(85)44(81)39(76)27(3)91-61)56(42(79)34(22-69)94-64)101-62-49(86)45(82)40(77)32(20-67)92-62/h18-19,26-27,30-64,67-71,74-88H,6-17,20-25H2,1-5H3,(H,65,72)(H,66,73)/b19-18+/t26-,27-,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-,59+,60-,61-,62+,63-,64-/m0/s1/i4+1 SMILES (mnx) [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]/[CH:18]=[CH:19]/[C@H:31]([C@H:30]([CH2:25][O:89][C@H:59]1[C@H:50]([OH:87])[C@@H:46]([OH:83])[C@H:52]([O:97][C@H:63]2[C@H:51]([OH:88])[C@@H:55]([O:100][C@H:58]3[C@H:37]([N:66]=[C:29]([CH3:5])[OH:73])[C@@H:54]([O:99][C@H:64]4[C@H:57]([O:102][C@H:61]5[C@@H:48]([OH:85])[C@H:44]([OH:81])[C@H:39]([OH:76])[C@H:27]([CH3:3])[O:91]5)[C@@H:56]([O:101][C@@H:62]5[C@H:49]([OH:86])[C@@H:45]([OH:82])[C@@H:40]([OH:77])[C@@H:32]([CH2:20][OH:67])[O:92]5)[C@@H:42]([OH:79])[C@@H:34]([CH2:22][OH:69])[O:94]4)[C@H:53]([O:98][C@H:60]4[C@@H:47]([OH:84])[C@H:43]([OH:80])[C@H:38]([OH:75])[C@H:26]([CH3:2])[O:90]4)[C@@H:36]([CH2:24][OH:71])[O:95]3)[C@@H:41]([OH:78])[C@@H:33]([CH2:21][OH:68])[O:93]2)[C@@H:35]([CH2:23][OH:70])[O:96]1)[N:65]=[C:28]([13CH3:4])[OH:72])[OH:74]

Parent-child relations graph

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