| Number |
qtl-m1207 |
| Declustering Potential(DP) |
|
| Collision Energy(CE) |
|
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
206 |
| Product ions(Q3) |
178 |
| Main fragments |
|
| Compound |
Xanthurenic acid |
| Identification |
putative |
| class |
Amino acid derivative |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:10072 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
BIOMD0000000602;; |
| CAS Registry Numbers |
59-00-7;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
xanthurenic acid;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by hydroxy groups at C-4 and C-8.;; |
| DrugBank Database Links |
|
| Formulae |
C10H7NO4;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
4,8-dihydroxyquinoline-2-carboxylic acid;; |
| InChI |
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);; |
| InChIKey |
FBZONXHGGPHHIY-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
C02470 |
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
23 Oct 2015;; |
| Mass |
205.16690;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
162012096;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
8598102;;7124659;;6803278;;4886323;;4614128;;3500530;;23303071;;23139790;;22770225;;22701629;;22491023;;22036934;;21188174;;20617247;;206127;;15336509;;15206761;;15206756;;15206742;;15068490;;1244085;;12092667;;11045716;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
OC(=O)c1cc(O)c2cccc(O)c2n1;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
Xanthuric acid;;Xanthurenic acid;;Xanthurenate;;Xanthurate;;Oxoxanthurenate;;8-Hydroxykynurenic acid;;8-Hydroxykynurenate;;4-Oxoxanthurenic acid;;4,8-Dihydroxyquinoline-2-carboxylic acid;;4,8-Dihydroxyquinoline-2-carboxylate;;4,8-Dihydroxyquinaldinic acid |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q8IBS5;;Q7RJG2;;P62345;; |
| ChEBI Image |
 |
| |
|
