Summary

IMPPAT Phytochemical identifier: IMPHY016282

Phytochemical name: 2-Nonenoic acid, methyl ester

Synonymous chemical names:
2-nonenoic acid methyl ester

External chemical identifiers:
CID:5357388, ZINC:ZINC000086047315, FDASRS:57Q0AER45Q, SureChEMBL:SCHEMBL3508416

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Chemical structure information

SMILES:
CCCCCC/C=CC(=O)OC

InChI:
InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h8-9H,3-7H2,1-2H3/b9-8-

InChIKey:
ZWNPUELCBZVMDA-HJWRWDBZSA-N

DeepSMILES:
CCCCCC/C=CC=O)OC

Functional groups:
C/C=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: 1.444

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Chemical structure download