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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:28474 - γ-amino-γ-cyanobutanoic acid
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ChEBI Name
γ-amino-γ-cyanobutanoic acid
ChEBI ID
CHEBI:28474
ChEBI ASCII Name
gamma-amino-gamma-cyanobutanoic acid
Definition
A γ-amino acid that is GABA in which one of the hydrogens at position 4 is replaced by a cyano group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:10558, CHEBI:24187
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Formula
C5H8N2O2
Net Charge
0
Average Mass
128.12930
Monoisotopic Mass
128.05858
InChI
InChI=1S/C5H8N2O2/c6-3-4(7)1-2-5(8)9/h4H,1-2,7H2,(H,8,9)
InChIKey
DXWQLTOXWVWMOH-UHFFFAOYSA-N
SMILES
NC(CCC(O)=O)C#N
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
γ-amino-γ-cyanobutanoic acid (
CHEBI:28474
)
has functional parent
butyric acid (
CHEBI:30772
)
γ-amino-γ-cyanobutanoic acid (
CHEBI:28474
)
is a
γ-amino acid (
CHEBI:33707
)
γ-amino-γ-cyanobutanoic acid (
CHEBI:28474
)
is a
aliphatic nitrile (
CHEBI:80291
)
γ-amino-γ-cyanobutanoic acid (
CHEBI:28474
)
is a
monocarboxylic acid (
CHEBI:25384
)
Incoming
(
R
)-γ-amino-γ-cyanobutanoic acid (
CHEBI:50615
)
is a
γ-amino-γ-cyanobutanoic acid (
CHEBI:28474
)
(
S
)-γ-amino-γ-cyanobutanoic acid (
CHEBI:50614
)
is a
γ-amino-γ-cyanobutanoic acid (
CHEBI:28474
)
IUPAC Name
4-amino-4-cyanobutanoic acid
Synonyms
Sources
4-Amino-4-cyanobutanoic acid
KEGG COMPOUND
4-amino-4-cyanobutyric acid
ChemIDplus
gamma-Amino-gamma-cyanobutanoate
KEGG COMPOUND
Manual Xrefs
Databases
C05715
KEGG COMPOUND
LMFA01100037
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
14046-56-1
CAS Registry Number
ChemIDplus
2960649
Beilstein Registry Number
Beilstein
Last Modified
01 May 2015