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CHEBI:169413 - 4-methyl-hexadecanoic acid

ChEBI IDCHEBI:169413
ChEBI Name4-methyl-hexadecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H34O2
Net Charge0
Average Mass270.457
Monoisotopic Mass270.25588
SMILESCCCCCCCCCCCCC(C)CCC(=O)O
InChIInChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)14-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
InChIKeyFWZFPYVAIYYOGZ-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)
4-methyl-hexadecanoic acid (CHEBI:169413) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
4-methylhexadecanoic acid
Manual XrefsDatabases
4471720ChemSpider
LMFA01020198LIPID MAPS