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 ZINC000000901781
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Formula C5H9NO4
Net Charge 0
Average Mass 147.12930
Monoisotopic Mass 147.05316
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 )
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
Manual Xrefs Databases
2AS 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
Marsh EN, Ballou DP (1998)
Coupling of cobalt-carbon bond homolysis and hydrogen atom abstraction in adenosylcobalamin-dependent glutamate mutase.
Biochemistry 37, 11864-11872 [PubMed:9718309]
[show Abstract]
Last Modified
09 December 2024