EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:179978 - 3-methyl-hexadecanoic acid

ChEBI IDCHEBI:179978
ChEBI Name3-methyl-hexadecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H34O2
Net Charge0
Average Mass270.457
Monoisotopic Mass270.25588
SMILESCCCCCCCCCCCCCC(C)CC(=O)O
InChIInChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(2)15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
InChIKeyQGVJAWWHMRGCSA-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)
3-methyl-hexadecanoic acid (CHEBI:179978) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
3-methylhexadecanoic acid
Manual XrefsDatabases
2284289ChemSpider
LMFA01020197LIPID MAPS
Registry NumbersSources
CAS:42172-35-0ChemIDplus