CHEBI:218501 - 4-((1-acetoxy-3-methylpentan-2-yl)amino)-3-methyl-4-oxobutanoic acid

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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 4-((1-acetoxy-3-methylpentan-2-yl)amino)-3-methyl-4-oxobutanoic acid
ChEBI ID CHEBI:218501
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information eMolecules:592066, ZINC000004557048
Download Molfile XML SDF
Formula C13H23NO5
Net Charge 0
Average Mass 273.329
Monoisotopic Mass 273.15762
InChI InChI=1S/C13H23NO5/c1-5-8(2)11(7-19-10(4)15)14-13(18)9(3)6-12(16)17/h8-9,11H,5-7H2,1-4H3,(H,14,18)(H,16,17)
InChIKey ILRJJTOUFSIBEQ-UHFFFAOYSA-N
SMILES O=C(NC(C(CC)C)COC(=O)C)C(CC(=O)O)C
Metabolite of Species Details
Leptosphaeria (NCBI:txid5021) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-((1-acetoxy-3-methylpentan-2-yl)amino)-3-methyl-4-oxobutanoic acid (CHEBI:218501) is a methyl-branched fatty acid (CHEBI:62499)
IUPAC Name
4-[(1-acetyloxy-3-methylpentan-2-yl)amino]-3-methyl-4-oxobutanoic acid