CHEBI:58045 - L-isoleucine zwitterion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name L-isoleucine zwitterion
ChEBI ID CHEBI:58045
ChEBI ASCII Name L-isoleucine zwitterion
Definition An L-α-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-isoleucine; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C6H13NO2
Net Charge 0
Average Mass 131.17290
Monoisotopic Mass 131.09463
InChI InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChIKey AGPKZVBTJJNPAG-WHFBIAKZSA-N
SMILES CC[C@H](C)[C@H]([NH3+])C([O-])=O
ChEBI Ontology
Outgoing L-isoleucine zwitterion (CHEBI:58045) is a L-α-amino acid zwitterion (CHEBI:59869)
L-isoleucine zwitterion (CHEBI:58045) is tautomer of L-isoleucine (CHEBI:17191)
Incoming L-isoleucine (CHEBI:17191) is tautomer of L-isoleucine zwitterion (CHEBI:58045)
IUPAC Name
(2S,3S)-2-azaniumyl-3-methylpentanoate
Synonyms Sources
(2S,3S)-2-ammonio-3-methylpentanoate ChEBI
L-isoleucine UniProt
Last Modified
13 March 2017