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CHEBI:58400 - 2-oxophytanate

Default Structure
ChEBI IDCHEBI:58400
ChEBI Name2-oxophytanate
Stars
DefinitionConjugate base of 2-oxophytanic acid.
Secondary ChEBI IDCHEBI:19758
Last Modified13 November 2017
DownloadsMolfile
FormulaC20H37O3
Net Charge-1
Average Mass325.513
Monoisotopic Mass325.27482
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)/p-1
InChIKeyCQJGVSCAFSXDSB-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2-oxophytanate (CHEBI:58400) has functional parent hexadecanoate (CHEBI:7896)
2-oxophytanate (CHEBI:58400) has functional parent hexadecanoic acid (CHEBI:15756)
2-oxophytanate (CHEBI:58400) is a 2-oxo monocarboxylic acid anion (CHEBI:35179)
2-oxophytanate (CHEBI:58400) is a long-chain fatty acid anion (CHEBI:57560)
2-oxophytanate (CHEBI:58400) is conjugate base of 2-oxophytanic acid (CHEBI:18168)
Incoming Relation(s)
2-oxophytanic acid (CHEBI:18168) is conjugate acid of 2-oxophytanate (CHEBI:58400)
IUPAC Name 
3,7,11,15-tetramethyl-2-oxohexadecanoate
UniProt Name  Source
2-oxophytanateUniProt