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CHEBI:37257 - phytanate

ChEBI IDCHEBI:37257
ChEBI Namephytanate
Stars
DefinitionA branched-chain saturated fatty acid anion that is the conjugate base of phytanic acid, arising from deprotonation of the carboxylic acid group.
Secondary ChEBI IDsCHEBI:14834, CHEBI:26109
Last Modified3 December 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H39O2
Net Charge-1
Average Mass311.530
Monoisotopic Mass311.29555
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)[O-]
InChIInChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/p-1
InChIKeyRLCKHJSFHOZMDR-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
phytanate (CHEBI:37257) has functional parent hexadecanoate (CHEBI:7896)
phytanate (CHEBI:37257) has functional parent hexadecanoic acid (CHEBI:15756)
phytanate (CHEBI:37257) has role human metabolite (CHEBI:77746)
phytanate (CHEBI:37257) is a 3-methyl fatty acid anion (CHEBI:83972)
phytanate (CHEBI:37257) is a branched-chain saturated fatty acid anion (CHEBI:58956)
phytanate (CHEBI:37257) is a long-chain fatty acid anion (CHEBI:57560)
phytanate (CHEBI:37257) is conjugate base of phytanic acid (CHEBI:16285)
Incoming Relation(s)
ω-hydroxyphytanate (CHEBI:83916) has functional parent phytanate (CHEBI:37257)
phytanic acid (CHEBI:16285) is conjugate acid of phytanate (CHEBI:37257)
IUPAC Name 
3,7,11,15-tetramethylhexadecanoate
Synonyms  Source
phytanate anionChEBI
3,7,11,15-tetramethylpalmitateChEBI
UniProt Name  Source
3,7,11,15-tetramethylhexadecanoateUniProt
Manual XrefsDatabases
C01607KEGG COMPOUND
Registry NumbersSources
Reaxys:3669982Reaxys
Citations