CHEBI:84890 - 14-methylpentadecanoic acid

ChEBI IDCHEBI:84890
ChEBI Name14-methylpentadecanoic acid
Stars
DefinitionA methyl-branched fatty acid that is pentadecanoic acid substituted by a methyl group at position 14. It is a biomarker for rheumatoid arthritis.
Last Modified8 November 2021
Submitternamrata
DownloadsMolfile
FormulaC16H32O2
Net Charge0
Average Mass256.430
Monoisotopic Mass256.24023
SMILESCC(C)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
InChIKeyZONJATNKKGGVSU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cervus nippon (ncbitaxon:9863) - PubMed (15112737) Found in the preorbital gland secretion.
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
Application:
biomarker  A substance used as an indicator of a biological state.
ChEBI Ontology
Outgoing Relation(s)
14-methylpentadecanoic acid (CHEBI:84890) has functional parent pentadecanoic acid (CHEBI:42504)
14-methylpentadecanoic acid (CHEBI:84890) has role biomarker (CHEBI:59163)
14-methylpentadecanoic acid (CHEBI:84890) has role mammalian metabolite (CHEBI:75768)
14-methylpentadecanoic acid (CHEBI:84890) is a branched-chain saturated fatty acid (CHEBI:39417)
14-methylpentadecanoic acid (CHEBI:84890) is a fatty acid 16:0 (CHEBI:140943)
14-methylpentadecanoic acid (CHEBI:84890) is a long-chain fatty acid (CHEBI:15904)
14-methylpentadecanoic acid (CHEBI:84890) is a methyl-branched fatty acid (CHEBI:62499)
14-methylpentadecanoic acid (CHEBI:84890) is conjugate acid of 14-methylpentadecanoate (CHEBI:183088)
Incoming Relation(s)
14-methylpentadecanoate (CHEBI:183088) is conjugate base of 14-methylpentadecanoic acid (CHEBI:84890)
IUPAC Name 
14-methylpentadecanoic acid
Synonyms  Source
isopalmitic acidLIPID MAPS
Iso-C16:0HMDB
isohexadecanoic acidLIPID MAPS
14-methyl pentadecylic acidLIPID MAPS
Manual XrefsDatabases
LMFA01020010LIPID MAPS
HMDB0031068HMDB
Registry NumbersSources
Reaxys:1776629Reaxys
CAS:4669-02-7ChemIDplus
CAS:4669-02-7NIST Chemistry WebBook
Citations