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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3L,7D,11D-phytanic acid
ChEBI ID CHEBI:179700
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H40O2
Net Charge 0
Average Mass 312.538
Monoisotopic Mass 312.30283
InChI InChI=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
InChIKey RLCKHJSFHOZMDR-QRVBRYPASA-N
SMILES OC(=O)C[C@H](CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C
ChEBI Ontology
Outgoing 3L,7D,11D-phytanic acid (CHEBI:179700) is a diterpenoid (CHEBI:23849)
IUPAC Name
(3S,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid
Manual Xrefs Databases
8148435 ChemSpider
HMDB0000553 HMDB
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Registry Number Type Source
31653-05-1 CAS Registry Number ChemIDplus