EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:21547 - N-acetyl-L-aspartic acid
| Formula | C6H9NO5 |
| Net Charge | 0 |
| Average Mass | 175.140 |
| Monoisotopic Mass | 175.04807 |
| SMILES | CC(=O)N[C@@H](CC(=O)O)C(=O)O |
| 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 |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rattus norvegicus (ncbitaxon:10116) | - | PubMed (17190852) | |
| Homo sapiens (ncbitaxon:9606) | |||
| - | DOI (10.1021/ac300829f) | ||
| - | MetaboLights (MTBLS20) | ||
| - | MetaboLights (MTBLS1) | ||
| - | PubMed (17190852) | ||
| Mus musculus (ncbitaxon:10090) | - | PubMed (17190852) |
| Roles Classification |
|---|
| Chemical Roles: | 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 (Brønsted base). |
| Biological Roles: | rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). 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). |
| Application: | 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| Ac-Asp-Glu (CHEBI:73688) has functional parent N-acetyl-L-aspartic acid (CHEBI:21547) |
| N-acetyl-L-aspartic acid-1,2,3,4-13C4 (CHEBI:176586) is a 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 | Source |
|---|---|
| (S)-2-(acetylamino)butanedioic acid | ChEBI |
| (S)-2-(acetylamino)succinic acid | HMDB |
| acetylaspartic acid | ChemIDplus |
| N-acetylaspartic acid | ChemIDplus |
| acetyl-L-aspartic acid | HMDB |
| L-N-acetylaspartic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| C01042 | KEGG COMPOUND |
| HMDB0000812 | HMDB |
| CPD-420 | MetaCyc |
| N-acetylaspartic_acid | Wikipedia |
| Citations |
|---|