EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:85306 - D-alloisoleucine zwitterion

ChEBI IDCHEBI:85306
ChEBI NameD-alloisoleucine zwitterion
Stars
ASCII NameD-alloisoleucine zwitterion
DefinitionA D-α-amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of D-alloisoleucine; major species at pH 7.3.
Last Modified13 March 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC6H13NO2
Net Charge0
Average Mass131.175
Monoisotopic Mass131.09463
SMILESCC[C@H](C)[C@@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1
InChIKeyAGPKZVBTJJNPAG-CRCLSJGQSA-N
ChEBI Ontology
Outgoing Relation(s)
D-alloisoleucine zwitterion (CHEBI:85306) is a D-α-amino acid zwitterion (CHEBI:59871)
D-alloisoleucine zwitterion (CHEBI:85306) is enantiomer of L-alloisoleucine zwitterion (CHEBI:85338)
D-alloisoleucine zwitterion (CHEBI:85306) is tautomer of D-alloisoleucine (CHEBI:20899)
Incoming Relation(s)
L-alloisoleucine zwitterion (CHEBI:85338) is enantiomer of D-alloisoleucine zwitterion (CHEBI:85306)
D-alloisoleucine (CHEBI:20899) is tautomer of D-alloisoleucine zwitterion (CHEBI:85306)
IUPAC Name 
(2R,3S)-2-azaniumyl-3-methylpentanoate
UniProt Name  Source
D-allo-isoleucineUniProt
Manual XrefsDatabases
CPD-17659MetaCyc
Citations