CHEBI:131411 - 12-methylpentadecanoic acid

ChEBI IDCHEBI:131411
ChEBI Name12-methylpentadecanoic acid
Stars
DefinitionA methyl-branched fatty acid that is pentadecanoic acid substituted by a methyl group at position 12.
Last Modified8 November 2021
SubmitterSteve
DownloadsMolfile
FormulaC16H32O2
Net Charge0
Average Mass256.430
Monoisotopic Mass256.24023
SMILESCCCC(C)CCCCCCCCCCC(=O)O
InChIInChI=1S/C16H32O2/c1-3-12-15(2)13-10-8-6-4-5-7-9-11-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
InChIKeyCUIYLSQWWZQCFB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Coolia monotis (ncbitaxon:58156) - PubMed (11055386)
Listeria monocytogenes (ncbitaxon:1639) - PubMed (26225744)
Caenorhabditis elegans (ncbitaxon:6239) - PubMed (23475189)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
Caenorhabditis elegans metabolite  A nematode metabolite produced by Caenorhabditis elegans.
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
12-methylpentadecanoic acid (CHEBI:131411) has role Caenorhabditis elegans metabolite (CHEBI:78804)
12-methylpentadecanoic acid (CHEBI:131411) has role bacterial xenobiotic metabolite (CHEBI:76976)
12-methylpentadecanoic acid (CHEBI:131411) has role marine metabolite (CHEBI:76507)
12-methylpentadecanoic acid (CHEBI:131411) is a branched-chain saturated fatty acid (CHEBI:39417)
12-methylpentadecanoic acid (CHEBI:131411) is a long-chain fatty acid (CHEBI:15904)
12-methylpentadecanoic acid (CHEBI:131411) is a methyl-branched fatty acid (CHEBI:62499)
IUPAC Name 
12-methylpentadecanoic acid
Synonym  Source
C15:0-12-methylChEBI
Registry NumbersSources
Reaxys:1864793Reaxys
Citations