Summary

IMPPAT Phytochemical identifier: IMPHY017358

Phytochemical name: Methyl hexadeca-2,4,6-trienoate

Synonymous chemical names:
methyl hexadecatrienoate

External chemical identifiers:
CID:53438593

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Chemical structure information

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

InChI:
InChI=1S/C17H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h11-16H,3-10H2,1-2H3

InChIKey:
LTSILXIATRERSU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC=CC=CC=CC=O)OC

Functional groups:
CC=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: 1.376

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Chemical structure download