Summary

IMPPAT Phytochemical identifier: IMPHY017703

Phytochemical name: Methyl tetradeca-2,4-dienoate

Synonymous chemical names:
methyl tetradecadienoate

External chemical identifiers:
CID:71364384

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Chemical structure information

SMILES:
CCCCCCCCCC=CC=CC(=O)OC

InChI:
InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h11-14H,3-10H2,1-2H3

InChIKey:
WBVDAGWICYRIQQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC=CC=CC=O)OC

Functional groups:
CC=CC=CC(=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: 1.413

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Chemical structure download