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CHEBI:27527 - melibiitol

ChEBI IDCHEBI:27527
ChEBI Namemelibiitol
Stars
Secondary ChEBI IDsCHEBI:6732, CHEBI:25181
Last Modified27 January 2016
DownloadsMolfile
FormulaC12H24O11
Net Charge0
Average Mass344.313
Monoisotopic Mass344.13186
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
WURCSWURCS=2.0/2,2,1/[a2112h-1a_1-5][h2122h]/1-2/a6-b1
InChIInChI=1S/C12H24O11/c13-1-4(14)7(16)8(17)5(15)2-22-3-6-9(18)10(19)11(20)12(21)23-6/h4-21H,1-3H2/t4-,5+,6-,7-,8-,9+,10+,11-,12+/m1/s1
InChIKeyPYZZIILDSAJNLZ-QZNPSGCDSA-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)
melibiitol (CHEBI:27527) has role mouse metabolite (CHEBI:75771)
melibiitol (CHEBI:27527) is a alditol (CHEBI:17522)
IUPAC Name 
6-O-(1-deoxy-D-glucitol-1-yl)-α-D-galactopyranose
Synonyms  Source
MelibiitolKEGG COMPOUND
6-O-(D-gluco-2,3,4,5,6-pentahydroxyhexyl)-α-D-galactopyranoseIUPAC
6-O-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-α-D-galactopyranoseIUPAC
6-O-alpha-D-Galactosyl-D-glucitolKEGG COMPOUND
Manual XrefsDatabases
C05399KEGG COMPOUND