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CHEBI:167745 - N-acetyl-D-alloisoleucine

ChEBI IDCHEBI:167745
ChEBI NameN-acetyl-D-alloisoleucine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H15NO3
Net Charge0
Average Mass173.212
Monoisotopic Mass173.10519
SMILESCC[C@H](C)[C@@H](NC(C)=O)C(=O)O
InChIInChI=1S/C8H15NO3/c1-4-5(2)7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t5-,7+/m0/s1
InChIKeyJDTWZSUNGHMMJM-CAHLUQPWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-D-alloisoleucine (CHEBI:167745) is a isoleucine derivative (CHEBI:24899)
IUPAC Name 
(2R,3S)-2-acetamido-3-methylpentanoic acid
Manual XrefsDatabases
5397973ChemSpider