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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
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
algal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
Daphnia magna metabolite  A Daphnia metabolite produced by the species Daphnia magna.
ChEBI Ontology
Outgoing Relation(s)
L-isoleucine (CHEBI:17191) has role Escherichia coli metabolite (CHEBI:76971)
L-isoleucine (CHEBI:17191) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
L-isoleucine (CHEBI:17191) has role algal metabolite (CHEBI:84735)
L-isoleucine (CHEBI:17191) has role human metabolite (CHEBI:77746)
L-isoleucine (CHEBI:17191) has role mouse metabolite (CHEBI:75771)
L-isoleucine (CHEBI:17191) has role plant metabolite (CHEBI:76924)
L-isoleucine (CHEBI:17191) is a L-α-amino acid (CHEBI:15705)
L-isoleucine (CHEBI:17191) is a aspartate family amino acid (CHEBI:22658)
L-isoleucine (CHEBI:17191) is a isoleucine (CHEBI:24898)
L-isoleucine (CHEBI:17191) is a proteinogenic amino acid (CHEBI:83813)
L-isoleucine (CHEBI:17191) is conjugate acid of L-isoleucinate (CHEBI:32604)
L-isoleucine (CHEBI:17191) is conjugate base of L-isoleucinium (CHEBI:32605)
L-isoleucine (CHEBI:17191) is enantiomer of D-isoleucine (CHEBI:27730)
L-isoleucine (CHEBI:17191) is tautomer of L-isoleucine zwitterion (CHEBI:58045)
Incoming Relation(s)
(4S)-31,4-dihydroxy-L-isoleucine zwitterion (CHEBI:149628) has functional parent L-isoleucine (CHEBI:17191)
L-isoleucine derivative (CHEBI:84111) has functional parent L-isoleucine (CHEBI:17191)
Asn-Ile (CHEBI:141421) has functional parent L-isoleucine (CHEBI:17191)
Asp-Lys-Ile (CHEBI:138791) has functional parent L-isoleucine (CHEBI:17191)
DON-10-isoleucine (CHEBI:149454) has functional parent L-isoleucine (CHEBI:17191)
Glu-Asp-Ile (CHEBI:73491) has functional parent L-isoleucine (CHEBI:17191)
Glu-Glu-Ile (CHEBI:73492) has functional parent L-isoleucine (CHEBI:17191)
Glu-Ile (CHEBI:141436) has functional parent L-isoleucine (CHEBI:17191)
Glu-Ile-Phe (CHEBI:73497) has functional parent L-isoleucine (CHEBI:17191)
Glu-Ile-Ser (CHEBI:73498) has functional parent L-isoleucine (CHEBI:17191)
Glu-Ile-Val (CHEBI:73499) has functional parent L-isoleucine (CHEBI:17191)
His-Ile (CHEBI:141437) has functional parent L-isoleucine (CHEBI:17191)
Ile-Asp (CHEBI:141439) has functional parent L-isoleucine (CHEBI:17191)
Ile-His (CHEBI:73520) has functional parent L-isoleucine (CHEBI:17191)
Ile-Ile (CHEBI:74067) has functional parent L-isoleucine (CHEBI:17191)
Ile-Leu-Trp-Trp (CHEBI:73518) has functional parent L-isoleucine (CHEBI:17191)
Ile-Leu-Val-Tyr (CHEBI:73519) has functional parent L-isoleucine (CHEBI:17191)
Ile-Lys (CHEBI:141440) has functional parent L-isoleucine (CHEBI:17191)
Ile-Thr (CHEBI:141441) has functional parent L-isoleucine (CHEBI:17191)
Pro-Glu-Ile (CHEBI:144613) has functional parent L-isoleucine (CHEBI:17191)
Thr-Ile (CHEBI:141446) has functional parent L-isoleucine (CHEBI:17191)
Trp-Ile (CHEBI:141448) has functional parent L-isoleucine (CHEBI:17191)
Tyr-Ile-Leu (CHEBI:165121) has functional parent L-isoleucine (CHEBI:17191)
α-Asp-Ile (CHEBI:68599) has functional parent L-isoleucine (CHEBI:17191)
L-isoleucinium (CHEBI:32605) is conjugate acid of L-isoleucine (CHEBI:17191)
L-isoleucinate (CHEBI:32604) is conjugate base of L-isoleucine (CHEBI:17191)
D-isoleucine (CHEBI:27730) is enantiomer of L-isoleucine (CHEBI:17191)
L-isoleucine residue (CHEBI:30009) is substituent group from L-isoleucine (CHEBI:17191)
L-isoleucino group (CHEBI:32607) is substituent group from L-isoleucine (CHEBI:17191)
L-isoleucyl group (CHEBI:32606) is substituent group from L-isoleucine (CHEBI:17191)
L-isoleucine zwitterion (CHEBI:58045) is tautomer of L-isoleucine (CHEBI:17191)
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