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CHEBI:169530 - Isovalerylglutamic acid

ChEBI IDCHEBI:169530
ChEBI NameIsovalerylglutamic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H17NO5
Net Charge0
Average Mass231.248
Monoisotopic Mass231.11067
SMILESCC(C)CC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C10H17NO5/c1-6(2)5-8(12)11-7(10(15)16)3-4-9(13)14/h6-7H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
InChIKeyHCVIJONZMYVLAW-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Isovalerylglutamic acid (CHEBI:169530) is a glutamic acid derivative (CHEBI:24315)
IUPAC Name 
(2S)-2-(3-methylbutanoylamino)pentanedioic acid
Manual XrefsDatabases
117667ChemSpider
HMDB0000726HMDB
Registry NumbersSources
CAS:80154-63-8ChemIDplus