a ganglioside GD2

Properties Image MNX_ID MNXM147186 reference chebi:79220 formula C46H72N4O34*2 global charge -2 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](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@@H]([*])O MNX internals InChI (mnx) InChI=1/C48H80N4O34/c1-14(58)19(49-15(2)59)13-77-43-35(71)34(70)37(25(11-56)79-43)81-44-36(72)41(38(26(12-57)80-44)82-42-29(52-18(5)62)33(69)31(67)23(9-54)78-42)86-48(46(75)76)7-21(64)28(51-17(4)61)40(85-48)32(68)24(10-55)83-47(45(73)74)6-20(63)27(50-16(3)60)39(84-47)30(66)22(65)8-53/h14,19-44,53-58,63-72H,6-13H2,1-5H3,(H,49,59)(H,50,60)(H,51,61)(H,52,62)(H,73,74)(H,75,76)/t14-,19+,20+,21+,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32-,33-,34-,35-,36-,37-,38+,39-,40-,41-,42+,43-,44+,47-,48+/m1/s1/i1+1,2+1 SMILES (mnx) [13CH3:1][C@H:14]([C@H:19]([CH2:13][O:77][C@H:43]1[C@H:35]([OH:71])[C@@H:34]([OH:70])[C@H:37]([O:81][C@H:44]2[C@H:36]([OH:72])[C@@H:41]([O:86][C@:48]3([C:46](=[O:75])[OH:76])[CH2:7][C@H:21]([OH:64])[C@@H:28]([N:51]=[C:17]([CH3:4])[OH:61])[C@H:40]([C@@H:32]([C@@H:24]([CH2:10][OH:55])[O:83][C@:47]4([C:45](=[O:73])[OH:74])[CH2:6][C@H:20]([OH:63])[C@@H:27]([N:50]=[C:16]([CH3:3])[OH:60])[C@H:39]([C@@H:30]([C@@H:22]([CH2:8][OH:53])[OH:65])[OH:66])[O:84]4)[OH:68])[O:85]3)[C@@H:38]([O:82][C@H:42]3[C@H:29]([N:52]=[C:18]([CH3:5])[OH:62])[C@@H:33]([OH:69])[C@@H:31]([OH:67])[C@@H:23]([CH2:9][OH:54])[O:78]3)[C@@H:26]([CH2:12][OH:57])[O:80]2)[C@@H:25]([CH2:11][OH:56])[O:79]1)[N:49]=[C:15]([13CH3:2])[OH:59])[OH:58]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 1