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CHEBI:179700 - 3L,7D,11D-phytanic acid

ChEBI IDCHEBI:179700
ChEBI Name3L,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-QRVBRYPASA-N
ChEBI Ontology
Outgoing Relation(s)
3L,7D,11D-phytanic acid (CHEBI:179700) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3S,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid
Manual XrefsDatabases
8148435ChemSpider
HMDB0000553HMDB
Registry NumbersSources
CAS:31653-05-1ChemIDplus