Summary

IMPPAT Phytochemical identifier: IMPHY009565

Phytochemical name: Tetradecyl 11-methyltridecanoate

Synonymous chemical names:
tetradecyl 11-methyltridecanoate, tetradecyl-11-methyltridecanoate

External chemical identifiers:
CID:129848060

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCOC(=O)CCCCCCCCCC(CC)C

InChI:
InChI=1S/C28H56O2/c1-4-6-7-8-9-10-11-12-13-17-20-23-26-30-28(29)25-22-19-16-14-15-18-21-24-27(3)5-2/h27H,4-26H2,1-3H3

InChIKey:
QENTULIMADKEJD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCOC=O)CCCCCCCCCCCC))C

Functional groups:
COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.42

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Chemical structure download