| Number |
mr1335 |
| Declustering Potential(DP) |
40 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
3.67 |
| Precursor ions(Q1) |
166.2 |
| Product ions(Q3) |
120.1 |
| Main fragments |
120.1, 103.7, 93.4, 72.2 |
| Compound |
L-Phenylalanine |
| Identification |
standard |
| class |
Amino acid |
| Organism |
|
| Reference |
|
| CV(%) |
24.29 |
| H2 |
0.38 |
| ChEBI_ID |
CHEBI:58095 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
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| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
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| CAS Registry Numbers |
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| COMe Database Links |
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| ChEBI ID |
|
| ChEBI Name |
L-phenylalanine zwitterion;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-phenylalanine; major species at pH 7.3.;; |
| DrugBank Database Links |
|
| Formulae |
C9H11NO2;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
(2S)-2-azaniumyl-3-phenylpropanoate;; |
| InChI |
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1;; |
| InChIKey |
COLNVLDHVKWLRT-QMMMGPOBSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 6.3.2.40;;EC 6.1.1.20;;EC 5.4.3.11;;EC 5.4.3.10;;EC 5.1.1.11;;EC 4.3.1.5;;EC 4.3.1.25;;EC 4.3.1.24;;EC 4.2.1.91;;EC 4.1.1.53;;EC 3.4.17.23;;EC 2.7.7.54;;EC 2.6.1.70;;EC 2.6.1.64;;EC 2.6.1.58;;EC 2.6.1.57;;EC 2.6.1.5;;EC 2.6.1.28;;EC 2.3.1.53;;EC 1.4.1. |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
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| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
15 May 2012;; |
| Mass |
165.18910;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
103158392;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
21956539;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
RHEA:41532;;RHEA:35091;;RHEA:34527;;RHEA:34395;;RHEA:33263;;RHEA:33131;;RHEA:30787;;RHEA:28923;;RHEA:27950;;RHEA:26554;;RHEA:25152;;RHEA:24992;;RHEA:21408;;RHEA:21384;;RHEA:20273;;RHEA:20201;;RHEA:19717;;RHEA:19413;;RHEA:17801;;RHEA:17593;;RHEA:17189;;RHE |
| SABIO-RK Database Links |
|
| SMILES |
[NH3+][C@@H](Cc1ccccc1)C([O-])=O;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
L-phenylalanine;;(2S)-2-ammonio-3-phenylpropanoate;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZUY3;;Q9ZRA2;;Q9ZKF9;;Q9ZKF8;;Q9ZHY3;;Q9ZDB5;;Q9ZDB4;;Q9Z7W0;;Q9Z6R6;;Q9Y9I6;;Q9Y9I3;;Q9Y285;;Q9Y041;;Q9X4G0;;Q9X4F7;;Q9X4F5;;Q9WZS9;;Q9WZS8;;Q9WYH8;;Q9WVR6;;Q9WVL0;;Q9WUA2;;Q9W3J5;;Q9VKJ0;;Q9VHD3;;Q9VHD2;;Q9VCA5;;Q9UYX3;;Q9UYX2;;Q9UHI5;;Q9T034;;Q9SSE7; |
| ChEBI Image |
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