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CHEBI:30833 - adipate(1−)
| Formula | C6H9O4 |
| Net Charge | -1 |
| Average Mass | 145.134 |
| Monoisotopic Mass | 145.05063 |
| SMILES | O=C([O-])CCCCC(=O)O |
| InChI | InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/p-1 |
| InChIKey | WNLRTRBMVRJNCN-UHFFFAOYSA-M |
| Roles Classification |
|---|
| Biological Role: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| adipate(1−) (CHEBI:30833) has role human xenobiotic metabolite (CHEBI:76967) |
| adipate(1−) (CHEBI:30833) is a dicarboxylic acid monoanion (CHEBI:35695) |
| adipate(1−) (CHEBI:30833) is conjugate acid of adipate(2−) (CHEBI:17128) |
| adipate(1−) (CHEBI:30833) is conjugate base of adipic acid (CHEBI:30832) |
| Incoming Relation(s) |
| adipic acid (CHEBI:30832) is conjugate acid of adipate(1−) (CHEBI:30833) |
| adipate(2−) (CHEBI:17128) is conjugate base of adipate(1−) (CHEBI:30833) |
| IUPAC Name |
|---|
| 5-carboxypentanoate |
| Synonyms | Source |
|---|---|
| hexanedioic acid, conjugate base | NIST Chemistry WebBook |
| hydrogen adipate | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Gmelin:326744 | Gmelin |
| Reaxys:3904589 | Reaxys |