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CHEBI:41727 - α-cellotriose

ChEBI IDCHEBI:41727
ChEBI Nameα-cellotriose
Stars
ASCII Namealpha-cellotriose
DefinitionA cellotriose with a α-configuration at the anomeric position.
Last Modified24 November 2020
DownloadsMolfile
FormulaC18H32O16
Net Charge0
Average Mass504.438
Monoisotopic Mass504.16903
SMILESOC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,3,2/[a2122h-1a_1-5][a2122h-1b_1-5]/1-2-2/a4-b1_b4-c1
InChIInChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17+,18+/m1/s1
InChIKeyFYGDTMLNYKFZSV-RZDZXANRSA-N
Roles Classification
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
α-cellotriose (CHEBI:41727) is a cellotriose (CHEBI:3528)
IUPAC Names 
Glc(b1-4)Glc(b1-4)a-Glc
β-D-glucopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)-α-D-glucopyranose
Synonym  Source
β-D-gluco-hexopyranosyl-(1→4)-β-D-gluco-hexopyranosyl-(1→4)-α-D-gluco-hexopyranoseIUPAC
Manual XrefsDatabases
G03861VKGlyTouCan
G03861VKGlyGen