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ChEBI
> Main
CHEBI:15337 - β-alanopine
Main
ChEBI Ontology
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ChEBI Name
β-alanopine
ChEBI ID
CHEBI:15337
ChEBI ASCII Name
beta-alanopine
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:10345, CHEBI:12390, CHEBI:22824
Supplier Information
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Formula
C6H11NO4
Net Charge
0
Average Mass
161.15588
Monoisotopic Mass
161.06881
InChI
InChI=1S/C6H11NO4/c1-4(6(10)11)7-3-2-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKey
OAWHMSFCLIYBHE-UHFFFAOYSA-N
SMILES
CC(NCCC(O)=O)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
β-alanopine (
CHEBI:15337
)
has functional parent
propionic acid (
CHEBI:30768
)
β-alanopine (
CHEBI:15337
)
is a
amino dicarboxylic acid (
CHEBI:36164
)
Incoming
(
R
)-β-alanopine (
CHEBI:50531
)
is a
β-alanopine (
CHEBI:15337
)
(
S
)-β-alanopine (
CHEBI:50532
)
is a
β-alanopine (
CHEBI:15337
)
IUPAC Name
N
-(2-carboxyethyl)alanine
Synonyms
Sources
2-[(2-carboxyethyl)amino]propanoic acid
IUPAC
beta-Alanopine
KEGG COMPOUND
Manual Xref
Database
C02207
KEGG COMPOUND
View more database links
Registry Number
Type
Source
1773072
Beilstein Registry Number
Beilstein
Last Modified
02 July 2010