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CHEBI:17123 - 2-aminoacrylic acid
| Formula | C3H5NO2 |
| Net Charge | 0 |
| Average Mass | 87.078 |
| Monoisotopic Mass | 87.03203 |
| SMILES | C=C(N)C(=O)O |
| InChI | InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6) |
| InChIKey | UQBOJOOOTLPNST-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | alkylating agent Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases. 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) |
| 2-aminoacrylic acid (CHEBI:17123) has role alkylating agent (CHEBI:22333) |
| 2-aminoacrylic acid (CHEBI:17123) has role human metabolite (CHEBI:77746) |
| 2-aminoacrylic acid (CHEBI:17123) has role mouse metabolite (CHEBI:75771) |
| 2-aminoacrylic acid (CHEBI:17123) is a 2,3-dehydroamino acid (CHEBI:145326) |
| 2-aminoacrylic acid (CHEBI:17123) is a enamine (CHEBI:47989) |
| 2-aminoacrylic acid (CHEBI:17123) is a non-proteinogenic α-amino acid (CHEBI:83925) |
| 2-aminoacrylic acid (CHEBI:17123) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) |
| 2-aminoacrylic acid (CHEBI:17123) is conjugate acid of 2-aminoacrylate (CHEBI:58020) |
| 2-aminoacrylic acid (CHEBI:17123) is tautomer of 2-ammonioprop-2-enoate (CHEBI:76565) |
| 2-aminoacrylic acid (CHEBI:17123) is tautomer of 2-iminiopropionate (CHEBI:44400) |
| 2-aminoacrylic acid (CHEBI:17123) is tautomer of 2-iminopropionic acid (CHEBI:76608) |
| Incoming Relation(s) |
| methyl 2-[(tert-butoxycarbonyl)amino]-3-(2-phenoxy-6-quinolyl)acrylate (CHEBI:48484) has functional parent 2-aminoacrylic acid (CHEBI:17123) |
| 2-aminoacrylate (CHEBI:58020) is conjugate base of 2-aminoacrylic acid (CHEBI:17123) |
| dehydroalanine residue (CHEBI:90873) is substituent group from 2-aminoacrylic acid (CHEBI:17123) |
| 2-ammonioprop-2-enoate (CHEBI:76565) is tautomer of 2-aminoacrylic acid (CHEBI:17123) |
| 2-iminiopropionate (CHEBI:44400) is tautomer of 2-aminoacrylic acid (CHEBI:17123) |
| 2-iminopropionic acid (CHEBI:76608) is tautomer of 2-aminoacrylic acid (CHEBI:17123) |
| IUPAC Name |
|---|
| 2-aminoprop-2-enoic acid |
| Synonyms | Source |
|---|---|
| 2-Aminoacrylate | KEGG COMPOUND |
| Dehydroalanine | KEGG COMPOUND |
| 2,3-didehydroalanine | ChEBI |
| anhydroserine2-aminopropenoic acid | ChEBI |
| α,β-dehydroalanine | ChEBI |
| 2-Aminoacrylate | KEGG COMPOUND |
| Citations |
|---|