Summary

IMPPAT Phytochemical identifier: IMPHY015839

Phytochemical name: Methyl 5-nonenoate

Synonymous chemical names:
methyl non-5-enoate

External chemical identifiers:
CID:554072

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Chemical structure information

SMILES:
CCCC=CCCCC(=O)OC

InChI:
InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h5-6H,3-4,7-9H2,1-2H3

InChIKey:
NXPOJJCVLXVOLL-UHFFFAOYSA-N

DeepSMILES:
CCCC=CCCCC=O)OC

Functional groups:
CC=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: 1.101

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Chemical structure download