Summary

IMPPAT Phytochemical identifier: IMPHY017408

Phytochemical name: 9Z,12E-Tetradecadienyl acetate

Synonymous chemical names:
(9z,12e)-9,12-tetradecadien-1-yl acetate

External chemical identifiers:
CID:5365642, ChEMBL:CHEMBL3183149, ZINC:ZINC000013828042, SureChEMBL:SCHEMBL556184

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Chemical structure information

SMILES:
C/C=C/C/C=CCCCCCCCCOC(=O)C

InChI:
InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4,6-7H,5,8-15H2,1-2H3/b4-3+,7-6-

InChIKey:
ZZGJZGSVLNSDPG-FDTUMDBZSA-N

DeepSMILES:
C/C=C/C/C=CCCCCCCCCOC=O)C

Functional groups:
C/C=C/C, C/C=CC, 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: 1.527

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Chemical structure download