| Number |
mr1322 |
| Declustering Potential(DP) |
20 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
1.64 |
| Precursor ions(Q1) |
118.1 |
| Product ions(Q3) |
72.2 |
| Main fragments |
72.2, 69.9, 52.4 |
| Compound |
L-Valine |
| Identification |
standard |
| class |
Amino acid |
| Organism |
|
| Reference |
|
| CV(%) |
44.77 |
| H2 |
0.32 |
| ChEBI_ID |
CHEBI:16414 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
1721136;; |
| BioModels Database Links |
BIOMD0000000497;;BIOMD0000000496;;BIOMD0000000473;;BIOMD0000000472;;BIOMD0000000471;;BIOMD0000000470;;BIOMD0000000469;;BIOMD0000000212;; |
| CAS Registry Numbers |
72-18-4;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
L-valine;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
The L-enantiomer of valine.;; |
| DrugBank Database Links |
DB00161;; |
| Formulae |
C5H11NO2;; |
| Gmelin Registry Numbers |
2827;; |
| INN |
|
| IUPAC Names |
L-valine;; |
| InChI |
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1;; |
| InChIKey |
KZSNJWFQEVHDMF-BYPYZUCNSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
D00039 |
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
27 Jan 2016;; |
| Mass |
117.14638;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
VAL;; |
| Patent Database Links |
WO2007129083;;WO2006100552;;WO2006099058;;WO2006086484;;WO2006083832;;WO2006044775;;WO2006014429;;WO2006004433;;WO2005102987;;WO2005092891;;WO2005010160;;US2008293618;;US2008275096;;US2007264269;;US2007259808;;US2007249541;;US2007248648;;US2007219227;;US2 |
| PubChem Database Links |
8143572;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
9625050;;7729054;;6696735;;6198473;;6142701;;24027187;;23940645;;22932811;;22585822;;22287678;;22138982;;21706252;;21359215;;2026685;;17670823;;16157826;;16146056;;16098035;;16097444;;16087981;;15911239;;14992292;;14608070;;12297216;;12101068;;12097436;;1 |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-983162;;R-HSA-983158;;R-HSA-983150;;R-HSA-70724;;R-HSA-70723;;R-HSA-5659734;;R-HSA-508189;;R-HSA-508179;;R-HSA-428007;;R-HSA-427998;;R-HSA-380199;;R-HSA-380042;;R-HSA-375487;;R-HSA-375473;;R-HSA-352232;;R-HSA-352191;;R-HSA-352107;;R-HSA-352103;;R-HS |
| Rhea Database Links |
|
| SABIO-RK Database Links |
9988;;9818;;98;;912;;8159;;8149;;8018;;8017;;7205;;6837;;6836;;6473;;574;;2173;;1868;;1619;;1446;;13903;;13902;;13710;;13468;;13332;;1290;;12602;;12433;;12428;;12421;;12420;;12403;;11619;;11278;;10573;;1048;;10331;; |
| SMILES |
CC(C)[C@H](N)C(O)=O;; |
| Secondary ChEBI ID |
CHEBI:6321;;CHEBI:21417;;CHEBI:13186;;CHEBI:46418;;CHEBI:46484;;CHEBI:46282;;CHEBI:46376;; |
| Star |
3;; |
| Synonyms |
L-alpha-Amino-beta-methylbutyric acid;;L-alpha-Amino-beta-methylbutyrate;;L-a-Amino-b-methylbutyric acid;;L-a-Amino-b-methylbutyrate;;L-Valin;;L-(+)-alpha-Aminoisovaleric acid;;L-(+)-alpha-Aminoisovalerate;;L-(+)-a-Aminoisovaleric acid;;L-(+)-a-Aminoisova |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZVM9;;Q9ZU96;;Q9ZMA9;;Q9ZK61;;Q9ZJT0;;Q9ZJJ1;;Q9ZJF1;;Q9ZCU4;;Q9ZCN6;;Q9ZCD3;;Q9Z9J4;;Q9Z987;;Q9Z972;;Q9Z6T0;;Q9Z6Q0;;Q9Z565;;Q9Z4H7;;Q9Z2A8;;Q9Z1Q9;;Q9Z1K9;;Q9Z127;;Q9Z0F8;;Q9YJW2;;Q9YI19;;Q9YG88;;Q9YF67;;Q9YAZ0;;Q9Y885;;Q9Y6Y1;;Q9Y5Z0;;Q9Y5X9;;Q9Y091; |
| ChEBI Image |
 |
| |
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