CHEBI:3528 - cellotriose

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ChEBI Name cellotriose
ChEBI ID CHEBI:3528
Definition A glucotriose consisting of three
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H32O16
Net Charge 0
Average Mass 504.438
Monoisotopic Mass 504.16903
InChI InChI=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
InChIKey FYGDTMLNYKFZSV-ZWSAEMDYSA-N
SMILES OC[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(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
Roles Classification
Biological Role(s): bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cellotriose (CHEBI:3528) has role bacterial xenobiotic metabolite (CHEBI:76976)
cellotriose (CHEBI:3528) is a glucotriose (CHEBI:146180)
Incoming α-cellotriose (CHEBI:41727) is a cellotriose (CHEBI:3528)
β-cellotriose (CHEBI:41753) is a cellotriose (CHEBI:3528)
IUPAC Names
β-D-glucopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)-D-glucopyranose
β-D-glucopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)-D-glucose
Synonyms Sources
β-D-Glcp-(1→4)-β-D-Glcp-(1→4)-D-Glc IUPAC
Cellotriose KEGG COMPOUND
D-cellotriose UniProt
WURCS=2.0/2,3,2/[a2122h-1x_1-5][a2122h-1b_1-5]/1-2-2/a4-b1_b4-c1 GlyTouCan
Manual Xrefs Databases
C06219 KEGG COMPOUND
DB01697 DrugBank
G00318 KEGG GLYCAN
G41078PD GlyGen
G41078PD GlyTouCan
View more database links
Registry Number Type Source
1443480 Reaxys Registry Number Reaxys
Last Modified
10 March 2021