CHEBI:85057 - 2-methylhexadecanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-methylhexadecanoic acid
ChEBI ID CHEBI:85057
Definition A methyl-branched fatty acid that is hexadecanoic (palmitic) acid bearing a methyl substituent at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H34O2
Net Charge 0
Average Mass 270.45070
Monoisotopic Mass 270.25588
InChI InChI=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)
InChIKey AXPAUZGVNGEWJD-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCC(C)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
2-methyl-hexadecanoic acid LIPID MAPS
2-Methylpalmitic acid ChemIDplus
α-methylhexadecanoic acid ChEBI
α-methylpalmitic acid ChEBI
Manual Xref Database
LMFA01020092 LIPID MAPS
View more database links
Registry Numbers Types Sources
1782974 Reaxys Registry Number Reaxys
27147-71-3 CAS Registry Number ChemIDplus
Last Modified
03 March 2015