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CHEBI:27571 - 3'-ketolactose

ChEBI IDCHEBI:27571
ChEBI Name3'-ketolactose
Stars
DefinitionA keto-disaccharide that is β-D-galactosyl-(1→4)-β-D-glucose in which the hydroxy group at position 3 of the galactosyl moiety has been oxidised to the corresponding ketone.
Secondary ChEBI IDsCHEBI:1567, CHEBI:20097
Last Modified27 January 2016
DownloadsMolfile
FormulaC12H20O11
Net Charge0
Average Mass340.281
Monoisotopic Mass340.10056
SMILESO=C1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)O[C@H](CO)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1b_1-5][a2O12h-1b_1-5]/1-2/a4-b1
InChIInChI=1S/C12H20O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-5,7-15,17-20H,1-2H2/t3-,4-,5+,7-,8-,9-,10-,11-,12+/m1/s1
InChIKeyHKKHTABTHSUDBP-WMIWJMKMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
3'-ketolactose (CHEBI:27571) has role mouse metabolite (CHEBI:75771)
3'-ketolactose (CHEBI:27571) is a keto-disaccharide (CHEBI:24957)
IUPAC Name 
3'-dehydro-β-D-galactosyl-β-D-glucopyranoside
Synonyms  Source
4-O-β-D-xylo-hexopyranosyl-3-ulose-β-D-glucopyranoseIUPAC
3-ketolactoseKEGG COMPOUND
UniProt Name  Source
3'-ketolactoseUniProt
Manual XrefsDatabases
C05403KEGG COMPOUND
G10531KEGG GLYCAN
3-KETOLACTOSEMetaCyc
HMDB0001030HMDB
Registry NumbersSources
Reaxys:1690719Reaxys
Citations