Summary

IMPPAT Phytochemical identifier: IMPHY017098

Phytochemical name: (2Z)-2-Tetradecenoic acid methyl ester

Synonymous chemical names:
methyl tetradecenoate

External chemical identifiers:
CID:14176610, SureChEMBL:SCHEMBL11059752

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Chemical structure information

SMILES:
CCCCCCCCCCC/C=C/C(=O)OC

InChI:
InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h13-14H,3-12H2,1-2H3/b14-13+

InChIKey:
CKTWGIPZKUEHIY-BUHFOSPRSA-N

DeepSMILES:
CCCCCCCCCCC/C=C/C=O)OC

Functional groups:
C/C=C/C(=O)OC

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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: 1.019

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Chemical structure download