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CHEBI:192101 - Ganglioside GA2 (d18:1/12:0)

ChEBI IDCHEBI:192101
ChEBI NameGanglioside GA2 (d18:1/12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H92N2O18
Net Charge0
Average Mass1009.282
Monoisotopic Mass1008.63451
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[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]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCC
InChIInChI=1S/C50H92N2O18/c1-4-6-8-10-12-14-15-16-17-19-20-22-24-26-34(57)33(52-38(58)27-25-23-21-18-13-11-9-7-5-2)31-65-49-44(63)42(61)47(36(29-54)67-49)70-50-45(64)43(62)46(37(30-55)68-50)69-48-39(51-32(3)56)41(60)40(59)35(28-53)66-48/h24,26,33-37,39-50,53-55,57,59-64H,4-23,25,27-31H2,1-3H3,(H,51,56)(H,52,58)/b26-24+/t33-,34+,35+,36+,37+,39+,40-,41+,42+,43+,44?,45+,46-,47+,48-,49+,50-/m0/s1
InChIKeyXXEIIEJSVKUHCZ-SJVSDXKXSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
Ganglioside GA2 (d18:1/12:0) (CHEBI:192101) is a glycosphingolipid (CHEBI:24402)
IUPAC Name 
N-[(E,2S,3R)-1-[(2R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]dodecanamide
Manual XrefsDatabases
HMDB0004888HMDB
17216280ChemSpider