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CHEBI:183828 - alpha-Gentiobiose

ChEBI IDCHEBI:183828
ChEBI Namealpha-Gentiobiose
Stars
Last Modified18 July 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22O11
Net Charge0
Average Mass342.297
Monoisotopic Mass342.11621
SMILESOC[C@H]1O[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1a_1-5][a2122h-1b_1-5]/1-2/a6-b1
InChIInChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11+,12-/m1/s1
InChIKeyDLRVVLDZNNYCBX-LFWCVFAXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3487) Strain: C57BL [EFO:0005181]
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
alpha-Gentiobiose (CHEBI:183828) is a gentiobiose (CHEBI:28066)
IUPAC Name 
(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
Manual XrefsDatabases
10194243ChemSpider
Registry NumbersSources
CAS:5995-99-3ChemIDplus