CHEBI:15604 - (3R)-β-leucine

ChEBI IDCHEBI:15604
ChEBI Name(3R)-β-leucine
Stars
ASCII Name(3R)-beta-leucine
DefinitionThe (3R)-β-isomer of leucine.
Secondary ChEBI IDsCHEBI:205, CHEBI:10884, CHEBI:21252
Last Modified1 July 2015
SubmitterMarcus Ennis
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-/m1/s1
InChIKeyGLUJNGJDHCTUJY-RXMQYKEDSA-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)
(3R)-β-leucine (CHEBI:15604) is a β-leucine (CHEBI:72772)
(3R)-β-leucine (CHEBI:15604) is enantiomer of (3S)-β-leucine (CHEBI:86261)
(3R)-β-leucine (CHEBI:15604) is tautomer of (3R)-β-leucine zwitterion (CHEBI:57428)
Incoming Relation(s)
(3S)-β-leucine (CHEBI:86261) is enantiomer of (3R)-β-leucine (CHEBI:15604)
(3R)-β-leucine zwitterion (CHEBI:57428) is tautomer of (3R)-β-leucine (CHEBI:15604)
IUPAC Name 
(3R)-3-amino-4-methylpentanoic acid
Synonyms  Source
(3R)-beta-LeucineKEGG COMPOUND
L-beta-LeucineKEGG COMPOUND
(3R)-3-Amino-4-methylvaleric acidChEBI
(3R)-beta-2-amino-4-methylvaleric acidChEBI
(3R)-beta-leucineChEBI
(3R)-3-Amino-4-methylpentanoic acidKEGG COMPOUND
Manual XrefsDatabases
C02486KEGG COMPOUND
CPD-2041MetaCyc
Registry NumbersSources
Reaxys:1721066Reaxys
CAS:5699-54-7ChemIDplus
Citations