CHEBI:16953 - N-acetyl-L-aspartate(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-acetyl-L-aspartate(2−)
ChEBI ID CHEBI:16953
ChEBI ASCII Name N-acetyl-L-aspartate(2-)
Definition A doubly-charged N-acyl-L-α-amino acid anion resulting from deprotonation of both carboxy groups of N-acetyl-L-aspartic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12574, CHEBI:7149, CHEBI:21546, CHEBI:87271
Supplier Information
Download Molfile XML SDF
Formula C6H7NO5
Net Charge -2
Average Mass 173.124
Monoisotopic Mass 173.032
InChI InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/p-2/t4-/m0/s1
InChIKey OTCCIMWXFLJLIA-BYPYZUCNSA-L
SMILES N(C(=O)C)[C@@H](CC([O-])=O)C(=O)[O-]
Metabolite of Species Details
Mus musculus (NCBI:10090) See: PubMed
Rattus norvegicus (NCBI:10116) See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Homo sapiens (NCBI:9606) See: MetaboLights Study
Homo sapiens (NCBI:9606) See: PubMed
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-acetyl-L-aspartate(2−) (CHEBI:16953) has functional parent L-aspartate(2−) (CHEBI:29993)
N-acetyl-L-aspartate(2−) (CHEBI:16953) has role antioxidant (CHEBI:22586)
N-acetyl-L-aspartate(2−) (CHEBI:16953) has role human metabolite (CHEBI:77746)
N-acetyl-L-aspartate(2−) (CHEBI:16953) has role mouse metabolite (CHEBI:75771)
N-acetyl-L-aspartate(2−) (CHEBI:16953) has role rat metabolite (CHEBI:86264)
N-acetyl-L-aspartate(2−) (CHEBI:16953) is a N-acyl-L-α-amino acid anion (CHEBI:59874)
N-acetyl-L-aspartate(2−) (CHEBI:16953) is a dicarboxylic acid dianion (CHEBI:28965)
N-acetyl-L-aspartate(2−) (CHEBI:16953) is conjugate base of N-acetyl-L-aspartic acid (CHEBI:21547)
Incoming N-acetyl-L-aspartic acid (CHEBI:21547) is conjugate acid of N-acetyl-L-aspartate(2−) (CHEBI:16953)
IUPAC Name
(2S)-2-acetamidobutanedioate
Synonyms Sources
(S)-2-(acetylamino)succinate ChEBI
N-Acetyl-L-aspartate KEGG COMPOUND
N-acetyl-L-aspartate UniProt
Database Links Databases
C01042 KEGG COMPOUND
CPD-420 MetaCyc
View more database links
Registry Number Type Source
2250815 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
12718449 PubMed citation Europe PMC
14645985 PubMed citation Europe PMC
15836629 PubMed citation Europe PMC
16524379 PubMed citation Europe PMC
17190852 PubMed citation Europe PMC
18002959 PubMed citation Europe PMC
18293939 PubMed citation Europe PMC
18355643 PubMed citation Europe PMC
18835755 PubMed citation Europe PMC
19091459 PubMed citation Europe PMC
19531109 PubMed citation Europe PMC
19850131 PubMed citation Europe PMC
20398713 PubMed citation Europe PMC
20421982 PubMed citation Europe PMC
4377221 PubMed citation Europe PMC
Last Modified
11 March 2016