Summary

IMPPAT Phytochemical identifier: IMPHY016109

Phytochemical name: 5-Tetradecen-1-ol, acetate, (Z)-

Synonymous chemical names:
(z)-5-tetradecenyl acetate

External chemical identifiers:
CID:5363545, ZINC:ZINC000059725223, SureChEMBL:SCHEMBL591804

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Chemical structure information

SMILES:
CCCCCCCC/C=CCCCCOC(=O)C

InChI:
InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h10-11H,3-9,12-15H2,1-2H3/b11-10-

InChIKey:
IAGBQBDKOCVGCC-KHPPLWFESA-N

DeepSMILES:
CCCCCCCC/C=CCCCCOC=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: 0.995

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Chemical structure download