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CHEBI:18168 - 2-oxophytanic acid

ChEBI IDCHEBI:18168
ChEBI Name2-oxophytanic acid
Stars
Secondary ChEBI IDsCHEBI:1258, CHEBI:11642
Last Modified10 January 2019
DownloadsMolfile
FormulaC20H38O3
Net Charge0
Average Mass326.521
Monoisotopic Mass326.28210
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)C(=O)O
InChIInChI=1S/C20H38O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-18H,6-14H2,1-5H3,(H,22,23)
InChIKeyCQJGVSCAFSXDSB-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-oxophytanic acid (CHEBI:18168) has functional parent phytanic acid (CHEBI:16285)
2-oxophytanic acid (CHEBI:18168) is a 2-oxo monocarboxylic acid (CHEBI:35910)
2-oxophytanic acid (CHEBI:18168) is conjugate acid of 2-oxophytanate (CHEBI:58400)
Incoming Relation(s)
2-oxophytanate (CHEBI:58400) is conjugate base of 2-oxophytanic acid (CHEBI:18168)
IUPAC Name 
3,7,11,15-tetramethyl-2-oxohexadecanoic acid
Synonyms  Source
2-OxophytanateKEGG COMPOUND
2-Oxophytanic acidKEGG COMPOUND
Manual XrefsDatabases
C02117KEGG COMPOUND