| Number |
qtl-m1214 |
| 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) |
209 |
| Product ions(Q3) |
146 |
| Main fragments |
|
| Compound |
Kynurenine |
| Identification |
putative |
| class |
Amino acid derivative |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:28683 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
343-65-7;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
kynurenine;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A ketone that is alanine in which one of the methyl hydrogens is substituted by a 2-aminobenzoyl group.;; |
| DrugBank Database Links |
|
| Formulae |
C10H12N2O3;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
2-amino-4-(2-aminophenyl)-4-oxobutanoic acid;; |
| InChI |
InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15);; |
| InChIKey |
YGPSJZOEDVAXAB-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 |
15 Jul 2015;; |
| Mass |
208.21396;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2007124096;;WO2007105203;;US2008132559;;US2008076796;;US2005090652;;EP1649857;; |
| PubChem Database Links |
14717663;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
22770225;;19027117;;17386621;;16139256;;14651996;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
NC(CC(=O)c1ccccc1N)C(O)=O;; |
| Secondary ChEBI ID |
CHEBI:24992;;CHEBI:6148;; |
| Star |
3;; |
| Synonyms |
|
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9WVM8;;Q9VMC9;;Q9S7N2;;Q9RYH5;;Q9MZS9;;Q9LR29;;Q9I234;;Q9I0Q7;;Q9ERD9;;Q9CXF0;;Q9A4E8;;Q95NN1;;Q94A02;;Q91WN4;;Q8Y1D2;;Q8Y1D0;;Q8XRY7;;Q8TDX5;;Q8R5M5;;Q8R519;;Q8R0V5;;Q8PQ80;;Q8PM34;;Q8PM33;;Q8PM31;;Q8PDA8;;Q8PAD3;;Q8PAD2;;Q8PAD0;;Q8N5Z0;;Q8K4H1;;Q8BTY1; |
| ChEBI Image |
 |
| |
|
