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 No supplier information found for this compound.
Download Molfile XML SDF
Formula C6H7NO5
Net Charge -2
Average Mass 173.124
Monoisotopic Mass 173.03352
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:txid10090) See: PubMed
Rattus norvegicus (NCBI:txid10116) See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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-acetyl-L-α-amino acid anion (CHEBI:233443)
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)
N-acetyl-L-aspartate(2−) (CHEBI:16953) is enantiomer of N-acetyl-D-aspartate(2−) (CHEBI:195274)
Incoming N-acetyl-L-aspartic acid (CHEBI:21547) is conjugate acid of N-acetyl-L-aspartate(2−) (CHEBI:16953)
N-acetyl-D-aspartate(2−) (CHEBI:195274) is enantiomer of N-acetyl-L-aspartate(2−) (CHEBI:16953)
N-terminal N-acetyl-L-aspartate residue (CHEBI:140856) is substituent group from 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
Manual Xrefs Databases
C01042 KEGG COMPOUND
CPD-420 MetaCyc
View more database links
Registry Number Type Source
2250815 Gmelin Registry Number Gmelin
Citations Waiting for Citations
Last Modified
11 March 2016