Summary

IMPPAT Phytochemical identifier: IMPHY013808

Phytochemical name: Pentyl valerate

Synonymous chemical names:
amyl valerate, pentanoic acid pentyl ester, pentyl pentanoate, pentyl valerate

External chemical identifiers:
CID:62433, ChEMBL:CHEMBL3187606, ZINC:ZINC000001707855, FDASRS:694D4BU139, SureChEMBL:SCHEMBL329057

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Chemical structure information

SMILES:
CCCCCOC(=O)CCCC

InChI:
InChI=1S/C10H20O2/c1-3-5-7-9-12-10(11)8-6-4-2/h3-9H2,1-2H3

InChIKey:
FGPPDYNPZTUNIU-UHFFFAOYSA-N

DeepSMILES:
CCCCCOC=O)CCCC

Functional groups:
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: 0.15

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Chemical structure download