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CHEBI:85057 - 2-methylhexadecanoic acid

ChEBI IDCHEBI:85057
ChEBI Name2-methylhexadecanoic acid
Stars
DefinitionA methyl-branched fatty acid that is hexadecanoic (palmitic) acid bearing a methyl substituent at position 2.
Last Modified3 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC17H34O2
Net Charge0
Average Mass270.457
Monoisotopic Mass270.25588
SMILESCCCCCCCCCCCCCCC(C)C(=O)O
InChIInChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
InChIKeyAXPAUZGVNGEWJD-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)
2-methylhexadecanoic acid (CHEBI:85057) has functional parent hexadecanoic acid (CHEBI:15756)
2-methylhexadecanoic acid (CHEBI:85057) is a branched-chain saturated fatty acid (CHEBI:39417)
2-methylhexadecanoic acid (CHEBI:85057) is a long-chain fatty acid (CHEBI:15904)
2-methylhexadecanoic acid (CHEBI:85057) is a methyl-branched fatty acid (CHEBI:62499)
2-methylhexadecanoic acid (CHEBI:85057) is conjugate acid of 2-methylhexadecanoate (CHEBI:84175)
Incoming Relation(s)
2-methylhexadecanoyl-CoA (CHEBI:85074) has functional parent 2-methylhexadecanoic acid (CHEBI:85057)
2-methylhexadecanoate (CHEBI:84175) is conjugate base of 2-methylhexadecanoic acid (CHEBI:85057)
IUPAC Name 
2-methylhexadecanoic acid
Synonyms  Source
2-Methylpalmitic acidChemIDplus
2-methyl-hexadecanoic acidLIPID MAPS
α-methylpalmitic acidChEBI
α-methylhexadecanoic acidChEBI
Manual XrefsDatabases
LMFA01020092LIPID MAPS
Registry NumbersSources
Reaxys:1782974Reaxys
CAS:27147-71-3ChemIDplus