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CHEBI:85058 - 12-methyloctadecanoic acid

ChEBI IDCHEBI:85058
ChEBI Name12-methyloctadecanoic acid
Stars
DefinitionA methyl-branched fatty acid that is octadecanoic (stearic) acid bearing a methyl substituent at position 12.
Last Modified3 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC19H38O2
Net Charge0
Average Mass298.511
Monoisotopic Mass298.28718
SMILESCCCCCCC(C)CCCCCCCCCCC(=O)O
InChIInChI=1S/C19H38O2/c1-3-4-5-12-15-18(2)16-13-10-8-6-7-9-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
InChIKeyMEBDGIUGSQZVMA-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)
12-methyloctadecanoic acid (CHEBI:85058) has functional parent octadecanoic acid (CHEBI:28842)
12-methyloctadecanoic acid (CHEBI:85058) is a branched-chain saturated fatty acid (CHEBI:39417)
12-methyloctadecanoic acid (CHEBI:85058) is a long-chain fatty acid (CHEBI:15904)
12-methyloctadecanoic acid (CHEBI:85058) is a methyl-branched fatty acid (CHEBI:62499)
12-methyloctadecanoic acid (CHEBI:85058) is conjugate acid of 12-methyloctadecanoate (CHEBI:84176)
Incoming Relation(s)
12-methyloctadecanoyl-CoA (CHEBI:85073) has functional parent 12-methyloctadecanoic acid (CHEBI:85058)
12-methyloctadecanoate (CHEBI:84176) is conjugate base of 12-methyloctadecanoic acid (CHEBI:85058)
IUPAC Name 
12-methyloctadecanoic acid
Synonyms  Source
12-methylstearic acidChEBI
12-methyl-octadecanoic acidLIPID MAPS
Manual XrefsDatabases
LMFA01020211LIPID MAPS
Registry NumbersSources
Reaxys:1725996Reaxys