EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:72772 - β-leucine

ChEBI IDCHEBI:72772
ChEBI Nameβ-leucine
Stars
ASCII Namebeta-leucine
DefinitionA β-amino acid that is pentanoic acid substituted at positions 3 and 4 by amino and methyl groups respectively.
Last Modified16 July 2015
Submittermwilliams
DownloadsMolfile
FormulaC6H13NO2
Net Charge0
Average Mass131.175
Monoisotopic Mass131.09463
SMILESCC(C)C(N)CC(=O)O
InChIInChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
InChIKeyGLUJNGJDHCTUJY-UHFFFAOYSA-N
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).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
β-leucine (CHEBI:72772) has role human metabolite (CHEBI:77746)
β-leucine (CHEBI:72772) is a β-amino acid (CHEBI:33706)
Incoming Relation(s)
(3R)-β-leucine (CHEBI:15604) is a β-leucine (CHEBI:72772)
(3S)-β-leucine (CHEBI:86261) is a β-leucine (CHEBI:72772)
IUPAC Name 
3-amino-4-methylpentanoic acid
Registry NumbersSources
Reaxys:1721067Reaxys
CAS:5699-54-7ChemIDplus
Citations