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CHEBI:172542 - 3D,7D,11D-Phytanic acid

ChEBI IDCHEBI:172542
ChEBI Name3D,7D,11D-Phytanic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H40O2
Net Charge0
Average Mass312.538
Monoisotopic Mass312.30283
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](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)/t17-,18-,19-/m1/s1
InChIKeyRLCKHJSFHOZMDR-GUDVDZBRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
3D,7D,11D-Phytanic acid (CHEBI:172542) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3R,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid
Manual XrefsDatabases
HMDB0000417HMDB
8556273ChemSpider