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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:37054 - 3-hydroxybutyrate
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ChEBI Name
3-hydroxybutyrate
ChEBI ID
CHEBI:37054
Definition
A hydroxy fatty acid anion that is the conjugate base of 3-hydroxybutyric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C4H7O3
Net Charge
-1
Average Mass
103.09658
Monoisotopic Mass
103.04007
InChI
InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/p-1
InChIKey
WHBMMWSBFZVSSR-UHFFFAOYSA-M
SMILES
CC(O)CC([O-])=O
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-hydroxybutyrate (
CHEBI:37054
)
has functional parent
butyrate (
CHEBI:17968
)
3-hydroxybutyrate (
CHEBI:37054
)
has role
human metabolite (
CHEBI:77746
)
3-hydroxybutyrate (
CHEBI:37054
)
is a
3-hydroxy fatty acid anion (
CHEBI:84196
)
3-hydroxybutyrate (
CHEBI:37054
)
is conjugate base of
3-hydroxybutyric acid (
CHEBI:20067
)
Incoming
sodium 3-hydroxybutyrate (
CHEBI:113373
)
has part
3-hydroxybutyrate (
CHEBI:37054
)
(
R
)-3-hydroxybutyrate (
CHEBI:10983
)
is a
3-hydroxybutyrate (
CHEBI:37054
)
(
S
)-3-hydroxybutyrate (
CHEBI:11047
)
is a
3-hydroxybutyrate (
CHEBI:37054
)
3-hydroxybutyric acid (
CHEBI:20067
)
is conjugate acid of
3-hydroxybutyrate (
CHEBI:37054
)
IUPAC Name
3-hydroxybutanoate
Synonyms
Sources
3-hydroxybutanoate
UniProt
3-OH butyrate
ChEBI
3-OH-butyrate
ChEBI
β-hydroxy-
n
-butyrate
ChEBI
β-hydroxybutanoate
ChEBI
D
L
-3-hydroxybutyrate
ChEBI
Registry Number
Type
Source
4127635
Reaxys Registry Number
Reaxys
Last Modified
28 April 2022