CHEBI:47980 - threo-3-methyl-L-aspartic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name threo-3-methyl-L-aspartic acid
ChEBI ID CHEBI:47980
ChEBI ASCII Name threo-3-methyl-L-aspartic acid
Definition An aspartic acid derivative having a 3-methyl substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:39908, CHEBI:6334
Supplier Information
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Formula C5H9NO4
Net Charge 0
Average Mass 147.12930
Monoisotopic Mass 147.053
InChI InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1
InChIKey LXRUAYBIUSUULX-HRFVKAFMSA-N
SMILES C[C@@H]([C@H](N)C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via L-alpha-amino acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing threo-3-methyl-L-aspartic acid (CHEBI:47980) is a amino dicarboxylic acid (CHEBI:36164)
threo-3-methyl-L-aspartic acid (CHEBI:47980) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
threo-3-methyl-L-aspartic acid (CHEBI:47980) is conjugate acid of threo-3-methyl-L-aspartate(1−) (CHEBI:58724)
Incoming threo-3-methyl-L-aspartate(1−) (CHEBI:58724) is conjugate base of threo-3-methyl-L-aspartic acid (CHEBI:47980)
IUPAC Names
(2S,3S)-2-amino-3-methylbutanedioic acid
(3S)-3-methyl-L-aspartic acid
Synonyms Sources
2S,3S-3-METHYLASPARTIC ACID PDBeChem
L-threo-3-Methylaspartate KEGG COMPOUND
threo-3-methyl-L-aspartic acid UniProt
Manual Xrefs Databases
3MD PDBeChem
C03618 KEGG COMPOUND
DB04538 DrugBank
View more database links
Registry Numbers Types Sources
1724461 Beilstein Registry Number Beilstein
1724461 Reaxys Registry Number Reaxys
4664207 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
9718309 PubMed citation Europe PMC
Last Modified
03 December 2014