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> Main
CHEBI:57885 - 3-dehydrocarnitine
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ChEBI Name
3-dehydrocarnitine
ChEBI ID
CHEBI:57885
Definition
An ammonium betaine that is the conjugate base of 3-dehydrocarnitinium; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C7H13NO3
Net Charge
0
Average Mass
159.18300
Monoisotopic Mass
159.08954
InChI
InChI=1S/C7H13NO3/c1-8(2,3)5-6(9)4-7(10)11/h4-5H2,1-3H3
InChIKey
YNOWULSFLVIUDH-UHFFFAOYSA-N
SMILES
C[N+](C)(C)CC(=O)CC([O-])=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
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-dehydrocarnitine (
CHEBI:57885
)
has role
human metabolite (
CHEBI:77746
)
3-dehydrocarnitine (
CHEBI:57885
)
is a
ammonium betaine (
CHEBI:35284
)
3-dehydrocarnitine (
CHEBI:57885
)
is conjugate base of
3-dehydrocarnitinium (
CHEBI:16758
)
Incoming
3-dehydrocarnityl CoA (
CHEBI:85886
)
has functional parent
3-dehydrocarnitine (
CHEBI:57885
)
3-dehydrocarnitinium (
CHEBI:16758
)
is conjugate acid of
3-dehydrocarnitine (
CHEBI:57885
)
IUPAC Name
3-oxo-4-(trimethylazaniumyl)butanoate
Synonyms
Sources
3-dehydrocarnitine
UniProt
3-oxo-4-(trimethylammonio)butanoate
ChEBI
Manual Xrefs
Databases
3-Dehydrocarnitine
Wikipedia
HMDB0012154
HMDB
View more database links
Registry Number
Type
Source
5509427
Reaxys Registry Number
Reaxys
Citations
Types
Sources
25037050
PubMed citation
Europe PMC
4968678
PubMed citation
Europe PMC
Last Modified
23 October 2015