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CHEBI:179877 - xi-2-Ethylheptanoic acid

ChEBI IDCHEBI:179877
ChEBI Namexi-2-Ethylheptanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H18O2
Net Charge0
Average Mass158.241
Monoisotopic Mass158.13068
SMILESCCCCCC(CC)C(=O)O
InChIInChI=1S/C9H18O2/c1-3-5-6-7-8(4-2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyDYWSVUBJGFTOQC-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)
xi-2-Ethylheptanoic acid (CHEBI:179877) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
2-ethylheptanoic acid
Manual XrefsDatabases
HMDB0030331HMDB
17608ChemSpider
Registry NumbersSources
CAS:3274-29-1ChemIDplus