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iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
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caffeine
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> Main
CHEBI:16885 - 1-kestose
Main
ChEBI Ontology
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ChEBI Name
1-kestose
ChEBI ID
CHEBI:16885
Definition
A trisaccharide found in vegetables consisting of β-
D
-fructofuranose having β-
D
-fructofuranosyl and α-
D
-glucopyranosyl residues attached at the 1- and 2-positions respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:19202, CHEBI:42141, CHEBI:11371, CHEBI:816
Supplier Information
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Molfile
Molfile
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Formula
C18H32O16
Net Charge
0
Average Mass
504.43710
Monoisotopic Mass
504.16903
InChI
InChI=1S/C18H32O16/c19-
1-
6-
9(23)
12(26)
13(27)
16(31-
6)
34-
18(15(29)
11(25)
8(3-
21)
33-
18)
5-
30-
17(4-
22)
14(28)
10(24)
7(2-
20)
32-
17/h6-
16,19-
29H,1-
5H2/t6-
,7-
,8-
,9-
,10-
,11-
,12+,13-
,14+,15+,16-
,17-
,18+/m1/s1
InChIKey
VAWYEUIPHLMNNF-OESPXIITSA-N
SMILES
OC[C@H]
1O[C@H]
(O[C@]
2(CO[C@]
3(CO)
O[C@H]
(CO)
[C@@H]
(O)
[C@@H]
3O)
O[C@H]
(CO)
[C@@H]
(O)
[C@@H]
2O)
[C@H]
(O)
[C@@H]
(O)
[C@@H]
1O
ChEBI Ontology
Outgoing
1-kestose (
CHEBI:16885
)
is a
trisaccharide (
CHEBI:27150
)
IUPAC Name
β-
D
-
fructofuranosyl-
(2→1)-
β-
D
-
fructofuranosyl α-
D
-
glucopyranoside
Synonyms
Sources
1-kestotriose
MetaCyc
1F-beta-D-Fructosylsucrose
KEGG COMPOUND
1
F
-β-
D
-fructosylsucrose
UniProt
[β-
D
-
Fru-
(2→1)]
2
-
α-
D
-
Glu
p
ChEBI
β-
D
-
Fru-
(2→1)-
β-
D
-
Fru-
(2→1)-
α-
D
-
Glu
p
ChEBI
beta-D-Fructofuranosyl-(2->1)-beta-D-fructofuranosyl alpha-D-glucopyranoside
KEGG COMPOUND
O
-
β-
D
-
fructofuranosyl-
(2→1)-
O
-
β-
D
-
fructofuranosyl-
(2→1)-
α-
D
-
glucopyranoside
ChEBI
Manual Xrefs
Databases
1-KESTOTRIOSE
MetaCyc
C03661
KEGG COMPOUND
DQR
PDBeChem
G02515
KEGG GLYCAN
HMDB0011729
HMDB
View more database links
Registry Numbers
Types
Sources
470-69-9
CAS Registry Number
ChemIDplus
63973
Reaxys Registry Number
Reaxys
Citation
Type
Source
1663421
PubMed citation
Europe PMC
Last Modified
23 October 2015