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CHEBI:16953 - N-acetyl-L-aspartate(2−)
| Formula | C6H7NO5 |
| Net Charge | -2 |
| Average Mass | 173.124 |
| Monoisotopic Mass | 173.03352 |
| 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)/p-2/t4-/m0/s1 |
| InChIKey | OTCCIMWXFLJLIA-BYPYZUCNSA-L |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| - | DOI (10.1038/nbt.2488) | ||
| - | PubMed (17190852) | ||
| - | MetaboLights (MTBLS1) | ||
| Mus musculus (ncbitaxon:10090) | - | PubMed (17190852) | |
| Rattus norvegicus (ncbitaxon:10116) | - | 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). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| N-Acetyl-L-aspartate | KEGG COMPOUND |
| (S)-2-(acetylamino)succinate | ChEBI |
| UniProt Name | Source |
|---|---|
| N-acetyl-L-aspartate | UniProt |
| Citations |
|---|