EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:179946 - 2-Methylheptanoic acid

ChEBI IDCHEBI:179946
ChEBI Name2-Methylheptanoic acid
Stars
Last Modified7 August 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H16O2
Net Charge0
Average Mass144.214
Monoisotopic Mass144.11503
SMILESCCCCCC(C)C(=O)O
InChIInChI=1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyNKBWMBRPILTCRD-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)
2-Methylheptanoic acid (CHEBI:179946) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
2-methylheptanoic acid
Manual XrefsDatabases
13821ChemSpider
HMDB0031587HMDB
LMFA01020391LIPID MAPS
Registry NumbersSources
CAS:1188-02-9ChemIDplus