| Number |
qtl-m1256 |
| 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) |
233.1 |
| Product ions(Q3) |
187.4 |
| Main fragments |
|
| Compound |
Nalidixic acid |
| Identification |
putative |
| class |
Others |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:100147 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
389-08-2;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
nalidixic acid;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A monocarboxylic acid comprising 1,8-naphthyridin-4-one substituted by carboxylic acid, ethyl and methyl groups at positions 3, 1, and 7, respectively.;; |
| DrugBank Database Links |
DB00779;; |
| Formulae |
C12H12N2O3;; |
| Gmelin Registry Numbers |
|
| INN |
nalidixic acid;;acidum nalidixicum;;acido nalidixico;;acide nalidixique;; |
| IUPAC Names |
1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid;; |
| InChI |
InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17);; |
| InChIKey |
MHWLWQUZZRMNGJ-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
D00183 |
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
25 Feb 2016;; |
| Mass |
232.23530;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
NIX;; |
| Patent Database Links |
US3590036;;BE612258;; |
| PubChem Database Links |
85307281;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
19071706;;18788798;;17631104;;17132068;;16803589;;16667857;;16423473;;16107187;;14107587;;12702698;;12399485;;12002106;;11321869;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12;; |
| Secondary ChEBI ID |
CHEBI:7456;; |
| Star |
3;; |
| Synonyms |
NALIDIXIC ACID;;3-carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one;;1-ethyl-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one-3-carboxylic acid;;1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;;1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]napht |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9WWZ9;;Q9WWZ8;;Q9K2Y1;;Q93PU7;;Q93PU6;;Q8FWV9;;Q8FWV8;;Q12382;;P77366;;P52600;;P52599;;P37002;;P27303;;P24112;;P0AEJ0;;O52248;; |
| ChEBI Image |
 |
| |
|
