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CHEBI:41753 - β-cellotriose

Default Structure
ChEBI IDCHEBI:41753
ChEBI Nameβ-cellotriose
Stars
ASCII Namebeta-cellotriose
DefinitionA cellotriose with a β-configuration at the anomeric position.
Last Modified7 April 2021
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=2.0/1,3,2/[a2122h-1b_1-5]/1-1-1/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-CSHPIKHBSA-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)
β-cellotriose (CHEBI:41753) is a cellotriose (CHEBI:3528)
IUPAC Name 
β-D-glucopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)-β-D-glucopyranose
Manual XrefsDatabases
CELLOTRIOSEMetaCyc
CT3PDBeChem
G14338VKGlyGen
G14338VKGlyTouCan
Registry NumbersSources
Reaxys:4302096Reaxys
Citations