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CHEBI:181125 - 8-Acetamido-2-methyl-7-oxononanoic acid

ChEBI IDCHEBI:181125
ChEBI Name8-Acetamido-2-methyl-7-oxononanoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21NO4
Net Charge0
Average Mass243.303
Monoisotopic Mass243.14706
SMILESCC(=O)NC(C)C(=O)CCCCC(C)C(=O)O
InChIInChI=1S/C12H21NO4/c1-8(12(16)17)6-4-5-7-11(15)9(2)13-10(3)14/h8-9H,4-7H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyUALLEVOGEQZKSX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
8-Acetamido-2-methyl-7-oxononanoic acid (CHEBI:181125) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
8-acetamido-2-methyl-7-oxononanoic acid
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22369937ChemSpider