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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:27571 - 3'-ketolactose
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ChEBI Ontology
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ChEBI Name
3'-ketolactose
ChEBI ID
CHEBI:27571
Definition
A keto-disaccharide that is β-
D
-galactosyl-(1→4)-β-
D
-glucose in which the hydroxy group at position 3 of the galactosyl moiety has been oxidised to the corresponding ketone.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1567, CHEBI:20097
Supplier Information
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Molfile
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Molfile
Formula
C12H20O11
Net Charge
0
Average Mass
340.28060
Monoisotopic Mass
340.10056
InChI
InChI=1S/C12H20O11/c13-
1-
3-
5(15)
6(16)
9(19)
12(22-
3)
23-
10-
4(2-
14)
21-
11(20)
8(18)
7(10)
17/h3-
5,7-
15,17-
20H,1-
2H2/t3-
,4-
,5+,7-
,8-
,9-
,10-
,11-
,12+/m1/s1
InChIKey
HKKHTABTHSUDBP-WMIWJMKMSA-N
SMILES
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3'-ketolactose (
CHEBI:27571
)
has role
mouse metabolite (
CHEBI:75771
)
3'-ketolactose (
CHEBI:27571
)
is a
keto-disaccharide (
CHEBI:24957
)
IUPAC Name
3'-dehydro-β-
D
-galactosyl-β-
D
-glucopyranoside
Synonyms
Sources
3'-ketolactose
UniProt
3-ketolactose
KEGG COMPOUND
4-
O
-
β-
D
-
xylo
-
hexopyranosyl-
3-
ulose-
β-
D
-
glucopyranose
IUPAC
Manual Xrefs
Databases
3-KETOLACTOSE
MetaCyc
C05403
KEGG COMPOUND
G10531
KEGG GLYCAN
HMDB0001030
HMDB
View more database links
Registry Number
Type
Source
1690719
Reaxys Registry Number
Reaxys
Citation
Type
Source
1525786
PubMed citation
Europe PMC
Last Modified
27 January 2016