Summary

IMPPAT Phytochemical identifier: IMPHY015830

Phytochemical name: Methyl (E)-4-decenoate

Synonymous chemical names:
methyl dec-4-enoate

External chemical identifiers:
CID:5366840, ZINC:ZINC000002040378, FDASRS:T880IM6I12, SureChEMBL:SCHEMBL1929342

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Chemical structure information

SMILES:
CCCCC/C=C/CCC(=O)OC

InChI:
InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+

InChIKey:
CRHITZQXHNFRAZ-BQYQJAHWSA-N

DeepSMILES:
CCCCC/C=C/CCC=O)OC

Functional groups:
C/C=C/C, 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: 1.333

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Chemical structure download