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CHEBI:21547 - N-acetyl-L-aspartic acid

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ChEBI Name N-acetyl-L-aspartic acid
ChEBI ID CHEBI:21547
ChEBI ASCII Name N-acetyl-L-aspartic acid
Definition An N-acyl-L-aspartic acid in which the acyl group is specified as acetyl.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H9NO5
Net Charge 0
Average Mass 175.13940
Monoisotopic Mass 175.048
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)/t4-/m0/s1
InChIKey OTCCIMWXFLJLIA-BYPYZUCNSA-N
SMILES CC(=O)N[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: PubMed
Homo sapiens (NCBI:9606) See: DOI
Homo sapiens (NCBI:9606) See: MetaboLights Study
Homo sapiens (NCBI:9606) See: MetaboLights Study
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).
Application(s): nutraceutical
A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-acetyl-L-aspartic acid (CHEBI:21547) has role antioxidant (CHEBI:22586)
N-acetyl-L-aspartic acid (CHEBI:21547) has role human metabolite (CHEBI:77746)
N-acetyl-L-aspartic acid (CHEBI:21547) has role mouse metabolite (CHEBI:75771)
N-acetyl-L-aspartic acid (CHEBI:21547) has role nutraceutical (CHEBI:50733)
N-acetyl-L-aspartic acid (CHEBI:21547) has role rat metabolite (CHEBI:86264)
N-acetyl-L-aspartic acid (CHEBI:21547) is a N-acetyl-L-amino acid (CHEBI:21545)
N-acetyl-L-aspartic acid (CHEBI:21547) is a N-acyl-L-aspartic acid (CHEBI:21647)
N-acetyl-L-aspartic acid (CHEBI:21547) is conjugate acid of N-acetyl-L-aspartate(2−) (CHEBI:16953)
Incoming Ac-Asp-Glu (CHEBI:73688) has functional parent N-acetyl-L-aspartic acid (CHEBI:21547)
N-acetyl-L-aspartate(2−) (CHEBI:16953) is conjugate base of N-acetyl-L-aspartic acid (CHEBI:21547)
IUPAC Name
(2S)-2-acetamidobutanedioic acid
Synonyms Sources
(S)-2-(acetylamino)butanedioic acid ChEBI
(S)-2-(acetylamino)succinic acid HMDB
acetyl-L-aspartic acid HMDB
acetylaspartic acid ChemIDplus
L-N-acetylaspartic acid HMDB
N-acetylaspartic acid ChemIDplus
NAA HMDB
Database Links Databases
C01042 KEGG COMPOUND
CPD-420 MetaCyc
HMDB00812 HMDB
N-acetylaspartic_acid Wikipedia
View more database links
Registry Numbers Types Sources
1726198 Reaxys Registry Number Reaxys
1726198 Beilstein Registry Number ChemIDplus
997-55-7 CAS Registry Number ChemIDplus
997-55-7 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
1400776 PubMed citation Europe PMC
1583881 PubMed citation Europe PMC
17190852 PubMed citation Europe PMC
17703473 PubMed citation Europe PMC
19445994 PubMed citation Europe PMC
19816853 PubMed citation Europe PMC
20362635 PubMed citation Europe PMC
20946933 PubMed citation Europe PMC
21547934 PubMed citation Europe PMC
21608034 PubMed citation Europe PMC
21920405 PubMed citation Europe PMC
22284151 PubMed citation Europe PMC
2272391 PubMed citation Europe PMC
22770225 PubMed citation Europe PMC
2324740 PubMed citation Europe PMC
6131106 PubMed citation Europe PMC
Last Modified
12 February 2016