CHEBI:86261 - (3S)-β-leucine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3S)-β-leucine
ChEBI ID CHEBI:86261
ChEBI ASCII Name (3S)-beta-leucine
Definition The (3S)-β-isomer of leucine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H13NO2
Net Charge 0
Average Mass 131.17290
Monoisotopic Mass 131.09463
InChI InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKey GLUJNGJDHCTUJY-YFKPBYRVSA-N
SMILES CC(C)[C@@H](N)CC(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via beta-leucine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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-val ChEBI
Manual Xref Database
HMDB0003640 HMDB
View more database links
Registry Number Type Source
8308744 Reaxys Registry Number Reaxys
Last Modified
23 October 2015