Summary

IMPPAT Phytochemical identifier: IMPHY014085

Phytochemical name: (Z)-9-Tetradecenyl acetate

Synonymous chemical names:
(z)-9-tetradecen-1-ol, acetate

External chemical identifiers:
CID:5364714, ZINC:ZINC000012405099, FDASRS:TN9973W29F, SureChEMBL:SCHEMBL434446

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Chemical structure information

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

InChI:
InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h6-7H,3-5,8-15H2,1-2H3/b7-6-

InChIKey:
XXPBOEBNDHAAQH-SREVYHEPSA-N

DeepSMILES:
CCCC/C=CCCCCCCCCOC=O)C

Functional groups:
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: 1.074

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Chemical structure download