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

ChEBI IDCHEBI:218501
ChEBI Name4-((1-acetoxy-3-methylpentan-2-yl)amino)-3-methyl-4-oxobutanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H23NO5
Net Charge0
Average Mass273.329
Monoisotopic Mass273.15762
SMILESCCC(C)C(COC(C)=O)NC(=O)C(C)CC(=O)O
InChIInChI=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)
InChIKeyILRJJTOUFSIBEQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Leptosphaeria (ncbitaxon:5021) - DOI (10.1177/1934578X1801300606)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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