EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:37108 - 7-methyloctanoic acid

ChEBI IDCHEBI:37108
ChEBI Name7-methyloctanoic acid
Stars
DefinitionA branched-chain saturated fatty acid consisting of octanoic acid carrying a 7-methyl group.
Last Modified5 September 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC9H18O2
Net Charge0
Average Mass158.241
Monoisotopic Mass158.13068
SMILESCC(C)CCCCCC(=O)O
InChIInChI=1S/C9H18O2/c1-8(2)6-4-3-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyXZOYHFBNQHPJRQ-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)
7-methyloctanoic acid (CHEBI:37108) is a branched-chain saturated fatty acid (CHEBI:39417)
7-methyloctanoic acid (CHEBI:37108) is a medium-chain fatty acid (CHEBI:59554)
7-methyloctanoic acid (CHEBI:37108) is a methyl-branched fatty acid (CHEBI:62499)
Incoming Relation(s)
7-methyl-3-oxooctanoic acid (CHEBI:37107) has functional parent 7-methyloctanoic acid (CHEBI:37108)
7-methyloctanoyl-CoA (CHEBI:140734) has functional parent 7-methyloctanoic acid (CHEBI:37108)
IUPAC Name 
7-methyloctanoic acid
Synonyms  Source
7-methylcaprylic acidChEBI
7-methyl caprylic acidLIPID MAPS
isononanoic acidChEBI
isopelargonic acidChEBI
7-Methyl-octansäureChEBI
7-MethyloctansäureChEBI
Manual XrefsDatabases
LMFA01020003LIPID MAPS
Registry NumbersSources
Reaxys:1752332Reaxys
CAS:693-19-6ChemIDplus