Summary

IMPPAT Phytochemical identifier: IMPHY017799

Phytochemical name: Pentyl 4-oxovalerate

Synonymous chemical names:
amyl levulinate

External chemical identifiers:
CID:88453, ZINC:ZINC000005512772, SureChEMBL:SCHEMBL875181

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Chemical structure information

SMILES:
CCCCCOC(=O)CCC(=O)C

InChI:
InChI=1S/C10H18O3/c1-3-4-5-8-13-10(12)7-6-9(2)11/h3-8H2,1-2H3

InChIKey:
NLDFWNCRMVSDMC-UHFFFAOYSA-N

DeepSMILES:
CCCCCOC=O)CCC=O)C

Functional groups:
CC(C)=O, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Keto acids and derivatives

ClassyFire Subclass: Gamma-keto acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.344

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Chemical structure download