| Number |
qtl-m0017 |
| Declustering Potential(DP) |
30 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
132.2 |
| Product ions(Q3) |
86.2 |
| Main fragments |
86.2, 69.1, 67.1, 56.1 |
| Compound |
L-Isoleucine |
| Identification |
standard |
| class |
Amino acid |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:17191 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
1721792;; |
| BioModels Database Links |
BIOMD0000000497;;BIOMD0000000496;;BIOMD0000000473;;BIOMD0000000472;;BIOMD0000000471;;BIOMD0000000470;;BIOMD0000000469;;BIOMD0000000212;; |
| CAS Registry Numbers |
73-32-5;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
L-isoleucine;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
The L-enantiomer of isoleucine.;; |
| DrugBank Database Links |
DB00167;; |
| Formulae |
C6H13NO2;; |
| Gmelin Registry Numbers |
486381;; |
| INN |
|
| IUPAC Names |
L-isoleucine;; |
| InChI |
InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1;; |
| InChIKey |
AGPKZVBTJJNPAG-WHFBIAKZSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
D00065 |
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
23 Mar 2016;; |
| Mass |
131.17296;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
ILE;; |
| Patent Database Links |
WO2006086484;;WO2006044775;;WO2006014429;;WO2006004433;;WO2005010160;;US2008293618;;US2008175837;;US2007258892;;US2007249541;;US2007248648;;US2007238669;;US2007219157;;US2007202058;;US2007197430;;US2006264415;;US2006223760;;US2004034080;;US2003219879;;GB1 |
| PubChem Database Links |
8143658;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
8724342;;6696735;;6198473;;24831709;;24738868;;24406630;;24284437;;24027187;;22932811;;22411374;;22298573;;2001478;;1981573;;19212411;;18502700;;17409434;;17299083;;16611167;;16365096;;16140883;;15911239;;14992292;;14651987;;12834252;;12603081;;12444084;; |
| 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-380176;;R-HSA-379893;;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 |
9809;;98;;912;;9086;;8111;;7740;;7211;;6473;;574;;413;;2173;;2171;;2170;;2169;;1868;;13902;;13709;;13467;;13333;;13316;;1290;;12603;;12431;;12429;;12423;;12416;; |
| SMILES |
CC[C@H](C)[C@H](N)C(O)=O;; |
| Secondary ChEBI ID |
CHEBI:21344;;CHEBI:13127;;CHEBI:6255;;CHEBI:43366;;CHEBI:43342;;CHEBI:43290;; |
| Star |
3;; |
| Synonyms |
alpha-amino-beta-methylvaleric acid;;[S-(R*,R*)]-2-Amino-3-methylpentanoic acid;;[S-(R*,R*)]-2-Amino-3-methylpentanoate;;L-Ile;;L-(+)-Isoleucine;;Iso-leucine;;ISOLEUCINE;;Erythro-L-Isoleucine;;2S,3S-Isoleucine;;2-Amino-3-methylvalerate;;2-Amino-3-methylpe |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZUX1;;Q9ZSS6;;Q9ZSD4;;Q9ZMA9;;Q9ZLB5;;Q9ZJJ1;;Q9ZJF1;;Q9ZGE2;;Q9ZEA3;;Q9ZCU4;;Q9Z972;;Q9Z6R2;;Q9Z5K9;;Q9Z565;;Q9YG88;;Q9YF67;;Q9Y885;;Q9Y5Q5;;Q9Y228;;Q9Y0Y0;;Q9XT90;;Q9XT50;;Q9XSZ5;;Q9XS59;;Q9XDB4;;Q9XBI3;;Q9XBG6;;Q9X8I6;;Q9X7F1;;Q9X7E5;;Q9X5F8;;Q9WZ48; |
| ChEBI Image |
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| |
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