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ChEBI
> Main
CHEBI:3528 - cellotriose
Main
ChEBI Ontology
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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.
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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
-
Glc
p
-
(1→4)-
β-
D
-
Glc
p
-
(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