EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:183357 - 6-O-(2-methylbutanoyl)-alpha-D-glucopyranosyl alpha-D-glucopyranoside

ChEBI IDCHEBI:183357
ChEBI Name6-O-(2-methylbutanoyl)-alpha-D-glucopyranosyl alpha-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H30O12
Net Charge0
Average Mass426.415
Monoisotopic Mass426.17373
SMILESCCC(C)C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C17H30O12/c1-3-6(2)15(25)26-5-8-10(20)12(22)14(24)17(28-8)29-16-13(23)11(21)9(19)7(4-18)27-16/h6-14,16-24H,3-5H2,1-2H3/t6?,7-,8-,9-,10-,11+,12+,13-,14-,16-,17-/m1/s1
InChIKeyXLVGCFIBECZCKR-NVGKCVISSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
6-O-(2-methylbutanoyl)-alpha-D-glucopyranosyl alpha-D-glucopyranoside (CHEBI:183357) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 2-methylbutanoate
Manual XrefsDatabases
29814830ChemSpider