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Ganglioside GM3 (homo sapiens)

PropertiesImage
MNX_IDMNXM8636 Image of MNXM8636
referencebiggM:gm3_hs
formulaC42H72N2O21*
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]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)C([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/C43H76N2O21/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(51)25(44-23(2)49)22-61-40-35(57)34(56)37(30(21-48)63-40)64-41-36(58)39(33(55)29(20-47)62-41)66-43(42(59)60)18-27(52)31(45-24(3)50)38(65-43)32(54)28(53)19-46/h16-17,25-41,46-48,51-58H,4-15,18-22H2,1-3H3,(H,44,49)(H,45,50)(H,59,60)/b17-16+/t25-,26+,27-,28+,29+,30+,31+,32+,33-,34+,35+,36+,37+,38?,39-,40+,41-,43-/m0/s1/i2+1 Image of MNXM8636
SMILES (mnx)[CH3:1][13CH2:2][C@@H:3]([CH3:4])[CH:5]([CH3:6])[CH:7]1[CH2:8][C@@:9]([CH2:10][C@@H:11]2[C@@H:12]([CH3:13])[C@H:14]([CH2:15][C@@H:16]3[C@@H:17]([CH3:18])[C@H:19]([CH3:20])[CH:21]([CH2:22][CH2:23][C@H:24]([CH2:25][C:26]([CH3:27])=[CH2:28])[C@@H:29]([CH3:30])/[CH:31]=[CH:32]\[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][NH:44][NH2:45])[O:46][O:47]3[O:48][OH:49])[O:50][O@:51]([O:52][OH:53])[O@:54]2[OH:55])([O:56]([OH:57])=[O:58])[O:59][O@:60]([OH:61])[O@@:62]1[O:63][O:64](=[O:65])[OH:66]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 16
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:gm3_hs
biggM:gm3_hs
Ganglioside GM3 (homo sapiens)

biggM:M_gm3_hs
secondary/obsolete/fantasy identifier