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GM1alpha (homo sapiens)

PropertiesImage
MNX_IDMNXM1104499 Image of MNXM1104499
referencebiggM:gm1a_hs
formulaC56H95N3O31*
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]3O[C@H](CO[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C57H99N3O31/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30(68)29(58-26(2)65)24-82-53-46(78)43(75)49(34(22-63)85-53)89-55-47(79)44(76)48(35(23-64)86-55)88-52-38(60-28(4)67)50(90-54-45(77)42(74)40(72)33(21-62)84-54)41(73)36(87-52)25-83-57(56(80)81)19-31(69)37(59-27(3)66)51(91-57)39(71)32(70)20-61/h17-18,29-55,61-64,68-79H,5-16,19-25H2,1-4H3,(H,58,65)(H,59,66)(H,60,67)(H,80,81)/b18-17+/t29-,30+,31-,32+,33+,34+,35+,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,47+,48-,49+,50+,51+,52-,53+,54-,55-,57+/m0/s1/i2+1 Image of MNXM1104499
SMILES (mnx)[CH3:1][13CH2:2][C@H:3]([CH3:4])[C@@H:5]([CH3:6])[C@H:7]1[CH2:8][C@:9]([CH2:10][CH2:11][C@H:12]2[CH2:13][C@H:14]([CH2:15][C@@H:16]3[CH:17]([CH3:18])[C@H:19]([CH3:20])[C@@H:21]([CH2:22][C@@H:23]4[C@H:24]([CH3:25])[C@@H:26]([CH3:27])[C@H:28]([CH2:29][CH2:30][C@H:31]([CH2:32][C:33]([CH3:34])=[CH2:35])[C@@H:36]([CH3:37])/[CH:38]=[CH:39]/[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][C@H:54]4[CH2:55][CH3:56])[CH2:57][N:58]3[NH:59][NH2:60])[O@:61]([O:62][O:63](=[O:64])[OH:65])[O@@:66]([O:67][O@:68]3[O:69][O@@:70]([O:71][OH:72])[O@:73]([OH:74])[O@@:75]([OH:76])[O@@:77]3[OH:78])[O@:79]2[OH:80])([O:81]([OH:82])=[O:83])[O:84][O:85]([OH:86])[O:87]1[O:88][O:89](=[O:90])[OH:91]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:gm1a_hs
biggM:gm1a_hs
GM1alpha (homo sapiens)

biggM:M_gm1a_hs
secondary/obsolete/fantasy identifier