EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:17191 - L-isoleucine

ChEBI IDCHEBI:17191
ChEBI NameL-isoleucine
Stars
ASCII NameL-isoleucine
DefinitionThe L-enantiomer of isoleucine.
Secondary ChEBI IDsCHEBI:6255, CHEBI:13127, CHEBI:21344, CHEBI:43290, CHEBI:43342, CHEBI:43366
Last Modified8 April 2022
DownloadsMolfile

FormulaC6H13NO2
Net Charge0
Average Mass131.175
Monoisotopic Mass131.09463
SMILESCC[C@H](C)[C@H](N)C(=O)O
InChIInChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChIKeyAGPKZVBTJJNPAG-WHFBIAKZSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932)
- PubMed (24831709)
- PubMed (24678285) Source: yeast.sf.net
Escherichia coli (ncbitaxon:562)
- PubMed (24831709)
- PubMed (21988831)
Chlamydomonas reinhardtii (ncbitaxon:3055) - PubMed (25515814)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification

ChEBI Ontology
IUPAC Name 
L-isoleucine
Synonyms  Source
L-IsoleucineKEGG COMPOUND
2-Amino-3-methylvaleric acidKEGG COMPOUND
IChEBI
IleChEBI
(2S,3S)-2-amino-3-methylpentanoic acidIUPAC
ISOLEUCINEPDBeChem
Manual XrefsDatabases
C00407KEGG COMPOUND
C00407KEGG COMPOUND
ILEPDBeChem
DB00167DrugBank
IsoleucineWikipedia
HMDB0000172HMDB
YMDB00038YMDB
ECMDB00172ECMDB
ILEMetaCyc
C00001374KNApSAcK
D00065KEGG DRUG
4129DrugCentral
Registry NumbersSources
Gmelin:486381Gmelin
Reaxys:1721792Reaxys
CAS:73-32-5KEGG COMPOUND
CAS:73-32-5ChemIDplus
CAS:73-32-5NIST Chemistry WebBook
Citations