CHEBI:168887 - 5-methyl-octadecanoic acid

ChEBI IDCHEBI:168887
ChEBI Name5-methyl-octadecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H38O2
Net Charge0
Average Mass298.511
Monoisotopic Mass298.28718
SMILESCCCCCCCCCCCCCC(C)CCCC(=O)O
InChIInChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-15-18(2)16-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
InChIKeyGDTPUEHGUWCYRY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5-methyl-octadecanoic acid (CHEBI:168887) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
5-methyloctadecanoic acid
Manual XrefsDatabases
4471735ChemSpider
LMFA01020216LIPID MAPS