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CHEBI:995 - cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid
| Formula | C7H7NO5 |
| Net Charge | 0 |
| Average Mass | 185.135 |
| Monoisotopic Mass | 185.03242 |
| SMILES | N/C(C(=O)O)=C(/C=C\C=O)C(=O)O |
| InChI | InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/b2-1-,5-4- |
| InChIKey | KACPVQQHDVBVFC-OIFXTYEKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| 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). 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: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:995) has role mouse metabolite (CHEBI:75771) |
| cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:995) is a 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:19448) |
| cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:995) is conjugate acid of cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:994) |
| Incoming Relation(s) |
| cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:994) is conjugate base of cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:995) |
| IUPAC Name |
|---|
| (2Z)-2-amino-3-[(1Z)-3-oxoprop-1-en-1-yl]but-2-enedioic acid |
| Synonyms | Source |
|---|---|
| 2-Amino-3-carboxymuconate semialdehyde | KEGG COMPOUND |
| 2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate | KEGG COMPOUND |
| 2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C04409 | KEGG COMPOUND |
| Citations |
|---|