| Number |
mr1035 |
| Declustering Potential(DP) |
50 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
190.0496 |
| Exact mass(Da) |
190.0499 |
| Accurate mass error(ppm) |
1.43 |
| Molecular formula |
C10H7NO3 |
| Ionization model |
|
| Ret. Time(min) |
8.20 |
| Precursor ions(Q1) |
190.0496 |
| Product ions(Q3) |
144.0 |
| Main fragments |
144.0, 116.0 |
| Compound |
Kynurenic acid |
| Identification |
standard |
| class |
Amino acid derivative |
| Organism |
|
| Reference |
|
| CV(%) |
79.80 |
| H2 |
0.70 |
| ChEBI_ID |
CHEBI:18344 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
147451;; |
| BioModels Database Links |
BIOMD0000000602;; |
| CAS Registry Numbers |
|
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
kynurenic acid;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by a hydroxy group at C-4.;; |
| DrugBank Database Links |
|
| Formulae |
C10H7NO3;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
4-hydroxyquinoline-2-carboxylic acid;; |
| InChI |
InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14);; |
| InChIKey |
HCZHHEIFKROPDY-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
22 Apr 2016;; |
| Mass |
189.16750;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
KYA;; |
| Patent Database Links |
WO2005123067;;US2008076796;;US2007244039;;US2007224165;;US2007207968;;US2007197511;;EP1903028;;EP1902733;;EP1649857;; |
| PubChem Database Links |
8144530;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
9078543;;8637415;;8634758;;8579218;;7882580;;3409000;;3379401;;2521895;;2339792;;23030614;;22915278;;22814028;;22770225;;22732505;;22224417;;22108572;;22065206;;206127;;19816853;;19815960;;19616570;;19523966;;19212411;;19187269;;18950711;;18836681;;184628 |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-893609;;R-HSA-893597;; |
| Rhea Database Links |
|
| SABIO-RK Database Links |
13965;; |
| SMILES |
OC(=O)c1cc(O)c2ccccc2n1;; |
| Secondary ChEBI ID |
CHEBI:14495;;CHEBI:1841;;CHEBI:20378;; |
| Star |
3;; |
| Synonyms |
Quinurenic acid;;Kynurensaeure;;4-oxo-1H-quinoline-2-carboxylic acid;;4-oxo-1,4-dihydroquinoline-2-carboxylic acid;;4-keto-1H-quinoline-2-carboxylic acid;;4-hydroxyquinaldinic acid;;4-hydroxyquinaldic acid;;4-Hydroxyquinoline-2-carboxylic acid;;4-Hydroxyq |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9HC97;;Q9ES90;;Q8BTY1;;Q7T3E5;;Q71RI9;;Q6YP21;;Q5REB0;;Q58FK9;;Q54KM6;;Q4R559;;Q28F67;;Q16773;;Q0P5G4;;Q08415;;P47039;;P38840;;P12345;;P12344;;P08907;;P05202;;P00508;;P00507;;P00506;;P00505;;O88867;;O15229;; |
| ChEBI Image |
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