| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2016-09-30 22:38:00 UTC |
|---|
| Update Date | 2020-05-11 19:56:01 UTC |
|---|
| BMDB ID | BMDB0000881 |
|---|
| Secondary Accession Numbers | |
|---|
| Metabolite Identification |
|---|
| Common Name | Xanthurenic acid |
|---|
| Description | Xanthurenic acid, also known as xanthurenic acid, belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions. Xanthurenic acid exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. Xanthurenic acid exists in all living species, ranging from bacteria to humans. In cattle, xanthurenic acid is involved in the metabolic pathway called the tryptophan metabolism pathway. |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| Xanthurenate | Kegg | | 8-Hydroxykynurenic acid | HMDB | | Gametocyte activating factor (gaf) | HMDB | | 4,8-Dihydroxy-2-quinolinecarboxylate | HMDB | | 4,8-Dihydroxy-2-quinolinecarboxylic acid | HMDB | | 4,8-Dihydroxy-quinaldate | HMDB | | 4,8-Dihydroxy-quinaldic acid | HMDB | | 4,8-Dihydroxyquinaldate | HMDB | | 4,8-Dihydroxyquinaldic acid | HMDB | | 4,8-Dihydroxyquinaldinate | HMDB | | 4,8-Dihydroxyquinaldinic acid | HMDB | | 4,8-Dihydroxyquinoline-2-carboxylate | HMDB | | 4,8-Dihydroxyquinoline-2-carboxylic acid | HMDB | | 4-Oxoxanthurenic acid | HMDB | | 8-Hydroxykynurenate | HMDB | | Oxoxanthurenate | HMDB | | Xanthurate | HMDB | | Xanthuric acid | HMDB |
|
|---|
| Chemical Formula | C10H7NO4 |
|---|
| Average Molecular Weight | 205.1669 |
|---|
| Monoisotopic Molecular Weight | 205.037507717 |
|---|
| IUPAC Name | 4,8-dihydroxyquinoline-2-carboxylic acid |
|---|
| Traditional Name | xanthurenic acid |
|---|
| CAS Registry Number | 59-00-7 |
|---|
| SMILES | OC(=O)C1=NC2=C(O)C=CC=C2C(O)=C1 |
|---|
| InChI Identifier | InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15) |
|---|
| InChI Key | FBZONXHGGPHHIY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Description | belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organoheterocyclic compounds |
|---|
| Class | Quinolines and derivatives |
|---|
| Sub Class | Quinoline carboxylic acids |
|---|
| Direct Parent | Quinoline carboxylic acids |
|---|
| Alternative Parents | |
|---|
| Substituents | - Quinoline-2-carboxylic acid
- Dihydroquinolone
- Hydroxyquinoline
- 8-hydroxyquinoline
- Dihydroquinoline
- Pyridine carboxylic acid
- Pyridine carboxylic acid or derivatives
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Pyridine
- Benzenoid
- Heteroaromatic compound
- Vinylogous amide
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Azacycle
- Organonitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Organooxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organic nitrogen compound
- Aromatic heteropolycyclic compound
|
|---|
| Molecular Framework | Aromatic heteropolycyclic compounds |
|---|
| External Descriptors | |
|---|
| Ontology |
|---|
| Status | Detected but not Quantified |
|---|
| Origin | |
|---|
| Biofunction | Not Available |
|---|
| Application | Not Available |
|---|
| Cellular locations | |
|---|
| Physical Properties |
|---|
| State | Solid |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | 289 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
|
|---|
| Predicted Properties | |
|---|
| Spectra |
|---|
| Spectra | |
|---|
