Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001469

Phytochemical name: Phytane

Synonymous chemical names:
phytane, 2,6,10,14-tetramethylhexadecane (phytane), phytane,, Phytane, 2,6,10,14-tetramethylhexadecane, 2,6,10,14-tetramethyl hexadecane

External chemical identifiers:
CID:CID_12523, ChEBI:CHEBI:48937, FDASRS:27UZX1Q8TR, SureChEMBL:SCHEMBL149808

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Chemical structure information

SMILES:
CCC(CCCC(CCCC(CCCC(C)C)C)C)C

InChI:
InChI=1S/C20H42/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h17-20H,7-16H2,1-6H3

InChIKey:
GGYKPYDKXLHNTI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC)C)))))C)))))C)))))C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.619

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Chemical structure download