EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:84896 - 16-methylheptadecanoic acid

ChEBI IDCHEBI:84896
ChEBI Name16-methylheptadecanoic acid
Stars
DefinitionA methyl-branched fatty acid that is heptadecanoic acid (margaric acid) substituted by a methyl group at position 16.
Last Modified19 February 2015
Submitternamrata
DownloadsMolfile
FormulaC18H36O2
Net Charge0
Average Mass284.484
Monoisotopic Mass284.27153
SMILESCC(C)CCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
InChIKeyXDOFQFKRPWOURC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (6033596)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
16-methylheptadecanoic acid (CHEBI:84896) has functional parent heptadecanoic acid (CHEBI:32365)
16-methylheptadecanoic acid (CHEBI:84896) is a branched-chain saturated fatty acid (CHEBI:39417)
16-methylheptadecanoic acid (CHEBI:84896) is a long-chain fatty acid (CHEBI:15904)
16-methylheptadecanoic acid (CHEBI:84896) is a methyl-branched fatty acid (CHEBI:62499)
IUPAC Name 
16-methylheptadecanoic acid
Synonyms  Source
16-methylmargaric acidChEBI
(+)-Isostearic acidLIPID MAPS
Isooctadecanoic acidChemIDplus
Manual XrefsDatabases
LMFA01020014LIPID MAPS
HMDB0031066HMDB
Registry NumbersSources
Reaxys:1782699Reaxys
CAS:2724-58-5ChemIDplus
Citations