Summary

IMPPAT Phytochemical identifier: IMPHY017002

Phytochemical name: ethyl 9Z-tetradecenoate

Synonymous chemical names:
ethyl (z)-9-tetradecenoate

External chemical identifiers:
CID:12054546, SureChEMBL:SCHEMBL2381738

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Chemical structure information

SMILES:
CCCC/C=CCCCCCCCC(=O)OCC

InChI:
InChI=1S/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h7-8H,3-6,9-15H2,1-2H3/b8-7-

InChIKey:
SVEDZEIUAKXCCX-FPLPWBNLSA-N

DeepSMILES:
CCCC/C=CCCCCCCCC=O)OCC

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 acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.795

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Chemical structure download