CHEBI:230803 - isoleucine glutamate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name isoleucine glutamate
ChEBI ID CHEBI:230803
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H20N2O6
Net Charge 0
Average Mass 276.289
Monoisotopic Mass 276.13214
InChI InChI=1S/C11H20N2O6/c1-3-6(2)9(13)11(17)19-18-10(16)7(12)4-5-8(14)15/h6-7,9H,3-5,12-13H2,1-2H3,(H,14,15)/t6?,7-,9?/m1/s1
InChIKey SSROGDVMOUZAQN-KDIYEYIXSA-N
SMILES O(OC(=O)[C@H](N)CCC(O)=O)C(=O)C(N)C(CC)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing isoleucine glutamate (CHEBI:230803) is a glutamic acid derivative (CHEBI:24315)
IUPAC Name
(4R)-4-amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid