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CHEBI:86261 - (3S)-β-leucine

ChEBI IDCHEBI:86261
ChEBI Name(3S)-β-leucine
Stars
ASCII Name(3S)-beta-leucine
DefinitionThe (3S)-β-isomer of leucine.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC6H13NO2
Net Charge0
Average Mass131.175
Monoisotopic Mass131.09463
SMILESCC(C)[C@@H](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)/t5-/m0/s1
InChIKeyGLUJNGJDHCTUJY-YFKPBYRVSA-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).
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)
(3S)-β-leucine (CHEBI:86261) is a β-leucine (CHEBI:72772)
(3S)-β-leucine (CHEBI:86261) is enantiomer of (3R)-β-leucine (CHEBI:15604)
Incoming Relation(s)
(3R)-β-leucine (CHEBI:15604) is enantiomer of (3S)-β-leucine (CHEBI:86261)
IUPAC Name 
(3S)-3-amino-4-methylpentanoic acid
Synonym  Source
(S)-homo-β-valChEBI
Manual XrefsDatabases
HMDB0003640HMDB
Registry NumbersSources
Reaxys:8308744Reaxys