a ganglioside GM4

Properties Image MNX_ID MNXM729039 reference metacycM:Ganglioside-GM4 formula C36H62N2O16* global charge -1 mol weight   InChIKey   InChI   SMILES [*]C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C37H66N2O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(44)24(38-22(2)42)21-52-35-32(49)34(31(48)28(20-41)53-35)55-37(36(50)51)18-26(45)29(39-23(3)43)33(54-37)30(47)27(46)19-40/h16-17,24-35,40-41,44-49H,4-15,18-21H2,1-3H3,(H,38,42)(H,39,43)(H,50,51)/b17-16+/t24-,25+,26-,27+,28+,29+,30+,31-,32+,33+,34-,35+,37+/m0/s1/i2+1 SMILES (mnx) [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]/[CH:16]=[CH:17]/[C@H:25]([C@H:24]([CH2:21][O:52][C@H:35]1[C@H:32]([OH:49])[C@@H:34]([O:55][C@@:37]2([C:36](=[O:50])[OH:51])[CH2:18][C@H:26]([OH:45])[C@@H:29]([N:39]=[C:23]([CH3:3])[OH:43])[C@H:33]([C@@H:30]([C@@H:27]([CH2:19][OH:40])[OH:46])[OH:47])[O:54]2)[C@@H:31]([OH:48])[C@@H:28]([CH2:20][OH:41])[O:53]1)[N:38]=[C:22]([13CH3:2])[OH:42])[OH:44]

Parent-child relations graph

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