a ganglioside GD1c

Properties Image MNX_ID MNXM163293 reference chebi:90856 formula C52H82N4O39*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]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@@H]([*])O MNX internals InChI (mnx) InChI=1/C54H90N4O39/c1-15(65)20(55-16(2)66)14-86-48-38(79)36(77)42(27(12-63)89-48)92-49-39(80)37(78)41(28(13-64)90-49)91-47-31(58-19(5)69)43(33(74)24(9-60)87-47)93-50-40(81)46(34(75)25(10-61)88-50)97-54(52(84)85)7-22(71)30(57-18(4)68)45(96-54)35(76)26(11-62)94-53(51(82)83)6-21(70)29(56-17(3)67)44(95-53)32(73)23(72)8-59/h15,20-50,59-65,70-81H,6-14H2,1-5H3,(H,55,66)(H,56,67)(H,57,68)(H,58,69)(H,82,83)(H,84,85)/t15-,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-,45-,46+,47+,48-,49+,50+,53-,54+/m1/s1/i1+1,2+1 SMILES (mnx) [13CH3:1][C@H:15]([C@H:20]([CH2:14][O:86][C@H:48]1[C@H:38]([OH:79])[C@@H:36]([OH:77])[C@H:42]([O:92][C@H:49]2[C@H:39]([OH:80])[C@@H:37]([OH:78])[C@@H:41]([O:91][C@H:47]3[C@H:31]([N:58]=[C:19]([CH3:5])[OH:69])[C@@H:43]([O:93][C@H:50]4[C@H:40]([OH:81])[C@@H:46]([O:97][C@:54]5([C:52](=[O:84])[OH:85])[CH2:7][C@H:22]([OH:71])[C@@H:30]([N:57]=[C:18]([CH3:4])[OH:68])[C@H:45]([C@@H:35]([C@@H:26]([CH2:11][OH:62])[O:94][C@:53]6([C:51](=[O:82])[OH:83])[CH2:6][C@H:21]([OH:70])[C@@H:29]([N:56]=[C:17]([CH3:3])[OH:67])[C@H:44]([C@@H:32]([C@@H:23]([CH2:8][OH:59])[OH:72])[OH:73])[O:95]6)[OH:76])[O:96]5)[C@@H:34]([OH:75])[C@@H:25]([CH2:10][OH:61])[O:88]4)[C@@H:33]([OH:74])[C@@H:24]([CH2:9][OH:60])[O:87]3)[C@@H:28]([CH2:13][OH:64])[O:90]2)[C@@H:27]([CH2:12][OH:63])[O:89]1)[N:55]=[C:16]([13CH3:2])[OH:66])[OH:65]

Parent-child relations graph

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