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GD3 (homo sapiens)

PropertiesImage
MNX_IDMNXM6274 Image of MNXM6274
referencebiggM:gd3_hs
formulaC53H88N3O29*
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](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@@H](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C54H93N3O29/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30(65)29(55-26(2)62)25-79-49-43(73)42(72)45(36(24-61)81-49)82-50-44(74)48(40(70)34(22-59)80-50)86-54(52(77)78)20-32(67)38(57-28(4)64)47(85-54)41(71)35(23-60)83-53(51(75)76)19-31(66)37(56-27(3)63)46(84-53)39(69)33(68)21-58/h17-18,29-50,58-61,65-74H,5-16,19-25H2,1-4H3,(H,55,62)(H,56,63)(H,57,64)(H,75,76)(H,77,78)/b18-17+/t29-,30+,31-,32-,33+,34+,35+,36+,37+,38+,39+,40-,41+,42+,43+,44+,45+,46?,47?,48-,49+,50-,53+,54-/m0/s1/i2+1 Image of MNXM6274
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]([CH2:12][CH3:13])[C@H:14]([CH3:15])[CH:16]2[CH2:17][C@@:18]([CH2:19][C@@H:20]3[C@H:21]([CH3:22])[C@@H:23]([CH2:24][C@@H:25]4[CH:26]([CH3:27])[C@H:28]([CH3:29])[C@@H:30]([CH2:31][CH2:32][C@H:33]([CH2:34][C:35]([CH3:36])=[CH2:37])[C@H:38]([CH3:39])/[CH:40]=[CH:41]/[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54])[NH:55][N:56]4[NH:57][OH:58])[O:59][O@:60]([O:61][OH:62])[O@:63]3[OH:64])([O:65]([OH:66])=[O:67])[O:68][O@:69]([OH:70])[O@:71]2[O:72][O:73](=[O:74])[OH:75])([O:76]([OH:77])=[O:78])[O:79][O@:80]([OH:81])[O@@:82]1[O:83][O:84](=[O:85])[OH:86]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 19
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:gd3_hs
biggM:gd3_hs
GD3 (homo sapiens)

biggM:M_gd3_hs
secondary/obsolete/fantasy identifier