EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:39250 - isopentadecanoic acid

ChEBI IDCHEBI:39250
ChEBI Nameisopentadecanoic acid
Stars
DefinitionA branched-chain saturated fatty acid comprising tetradecanoic (myristic) acid substituted at position 13 by a methyl group.
Last Modified31 March 2015
Submitterunwin305
DownloadsMolfile
FormulaC15H30O2
Net Charge0
Average Mass242.403
Monoisotopic Mass242.22458
SMILESCC(C)CCCCCCCCCCCC(=O)O
InChIInChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
InChIKeyZOCYQVNGROEVLU-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)
isopentadecanoic acid (CHEBI:39250) is a branched-chain saturated fatty acid (CHEBI:39417)
isopentadecanoic acid (CHEBI:39250) is a long-chain fatty acid (CHEBI:15904)
isopentadecanoic acid (CHEBI:39250) is a methyl-branched fatty acid (CHEBI:62499)
isopentadecanoic acid (CHEBI:39250) is conjugate acid of isopentadecanoate (CHEBI:70826)
Incoming Relation(s)
isopentadecanoyl-CoA (CHEBI:70848) has functional parent isopentadecanoic acid (CHEBI:39250)
isopentadecanoate (CHEBI:70826) is conjugate base of isopentadecanoic acid (CHEBI:39250)
IUPAC Name 
13-methyltetradecanoic acid
Synonyms  Source
Isopentadecylic acidLIPID MAPS
13-methylmyristic acidLIPID MAPS
13-MtdChemIDplus
13-Methyl-tetradecansäureChEBI
i-15:0ChEBI
iso-C15ChEBI
Manual XrefsDatabases
LMFA01020009LIPID MAPS
Registry NumbersSources
Reaxys:1773830Reaxys
CAS:2485-71-4ChemIDplus
Citations