CHEBI:169530 - Isovalerylglutamic acid

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ChEBI Name Isovalerylglutamic acid
ChEBI ID CHEBI:169530
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C10H17NO5
Net Charge 0
Average Mass 231.248
Monoisotopic Mass 231.11067
InChI InChI=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
InChIKey HCVIJONZMYVLAW-ZETCQYMHSA-N
SMILES O=C(N[C@@H](CCC(O)=O)C(O)=O)CC(C)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Isovalerylglutamic acid (CHEBI:169530) is a glutamic acid derivative (CHEBI:24315)
IUPAC Name
(2S)-2-(3-methylbutanoylamino)pentanedioic acid
Manual Xrefs Databases
117667 ChemSpider
HMDB0000726 HMDB
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Registry Number Type Source
80154-63-8 CAS Registry Number ChemIDplus