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

Properties Image MNX_ID MNXM1104469 reference biggM:fucacgalfucgalacglcgalgluside_hs formula C65H112N3O36* 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]5NC(C)=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]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C66H115N3O36/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(78)32(67-29(4)75)26-92-62-52(90)49(87)54(37(24-73)99-62)100-65-53(91)57(44(82)35(22-71)96-65)103-61-40(69-31(6)77)56(55(38(25-74)98-61)101-63-50(88)47(85)41(79)27(2)93-63)102-66-59(105-64-51(89)48(86)42(80)28(3)94-64)58(45(83)36(23-72)97-66)104-60-39(68-30(5)76)46(84)43(81)34(21-70)95-60/h19-20,27-28,32-66,70-74,78-91H,7-18,21-26H2,1-6H3,(H,67,75)(H,68,76)(H,69,77)/b20-19+/t27-,28-,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-,65-,66-/m0/s1/i4+1 SMILES (mnx) [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]/[CH:19]=[CH:20]/[C@H:33]([C@H:32]([CH2:26][O:92][C@H:62]1[C@H:52]([OH:90])[C@@H:49]([OH:87])[C@H:54]([O:100][C@H:65]2[C@H:53]([OH:91])[C@@H:57]([O:103][C@H:61]3[C@H:40]([N:69]=[C:31]([CH3:6])[OH:77])[C@@H:56]([O:102][C@H:66]4[C@H:59]([O:105][C@H:64]5[C@@H:51]([OH:89])[C@H:48]([OH:86])[C@H:42]([OH:80])[C@H:28]([CH3:3])[O:94]5)[C@@H:58]([O:104][C@@H:60]5[C@H:39]([N:68]=[C:30]([CH3:5])[OH:76])[C@@H:46]([OH:84])[C@@H:43]([OH:81])[C@@H:34]([CH2:21][OH:70])[O:95]5)[C@@H:45]([OH:83])[C@@H:36]([CH2:23][OH:72])[O:97]4)[C@H:55]([O:101][C@H:63]4[C@@H:50]([OH:88])[C@H:47]([OH:85])[C@H:41]([OH:79])[C@H:27]([CH3:2])[O:93]4)[C@@H:38]([CH2:25][OH:74])[O:98]3)[C@@H:44]([OH:82])[C@@H:35]([CH2:22][OH:71])[O:96]2)[C@@H:37]([CH2:24][OH:73])[O:99]1)[N:67]=[C:29]([13CH3:4])[OH:75])[OH:78]

Parent-child relations graph

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