N-Acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide

Properties Image MNX_ID MNXM1103863 reference keggC:C04884 formula C50H86N3O26* 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]3NC(C)=O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C51H89N3O26/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(62)28(52-25(2)59)24-73-48-41(69)40(68)43(33(22-57)75-48)77-49-42(70)46(44(34(23-58)76-49)78-47-36(54-27(4)61)39(67)38(66)32(21-56)74-47)80-51(50(71)72)19-30(63)35(53-26(3)60)45(79-51)37(65)31(64)20-55/h17-18,28-49,55-58,62-70H,5-16,19-24H2,1-4H3,(H,52,59)(H,53,60)(H,54,61)(H,71,72)/b18-17+/t28-,29+,30-,31+,32+,33+,34+,35+,36+,37+,38-,39+,40+,41+,42+,43+,44-,45+,46+,47-,48+,49-,51-/m0/s1/i2+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:73][C@H:48]1[C@H:41]([OH:69])[C@@H:40]([OH:68])[C@H:43]([O:77][C@H:49]2[C@H:42]([OH:70])[C@@H:46]([O:80][C@:51]3([C:50](=[O:71])[OH:72])[CH2:19][C@H:30]([OH:63])[C@@H:35]([N:53]=[C:26]([CH3:3])[OH:60])[C@H:45]([C@@H:37]([C@@H:31]([CH2:20][OH:55])[OH:64])[OH:65])[O:79]3)[C@@H:44]([O:78][C@H:47]3[C@H:36]([N:54]=[C:27]([CH3:4])[OH:61])[C@@H:39]([OH:67])[C@@H:38]([OH:66])[C@@H:32]([CH2:21][OH:56])[O:74]3)[C@@H:34]([CH2:23][OH:58])[O:76]2)[C@@H:33]([CH2:22][OH:57])[O:75]1)[N:52]=[C:25]([13CH3:2])[OH:59])[OH:62]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 10 in models (compartimentalized) 0