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

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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	3D,7D,11D-Phytanic acid

ChEBI ID	CHEBI:172542

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H40O2

Net Charge

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-GUDVDZBRSA-N

SMILES

OC(=O)C[C@@H](CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). See: MetaboLights Study

ChEBI Ontology
Outgoing	3D,7D,11D-Phytanic acid (CHEBI:172542) is a diterpenoid (CHEBI:23849)

IUPAC Name

(3R,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid