Summary

IMPPAT Phytochemical identifier: IMPHY012134

Phytochemical name: Tetradecyl acetate

Synonymous chemical names:
tetradecyl acetate

External chemical identifiers:
CID:12531, ChEMBL:CHEMBL2228462, ZINC:ZINC000059725258, FDASRS:G9O55CT350, SureChEMBL:SCHEMBL506542, MolPort-006-112-195

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCOC(=O)C

InChI:
InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-15H2,1-2H3

InChIKey:
IOUUIFSIQMVYKP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCOC=O)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 alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.414

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Chemical structure download