Summary

IMPPAT Phytochemical identifier: IMPHY016441

Phytochemical name: 4-Pentenyl butyrate

Synonymous chemical names:
4-pentenylbutanoicacidester

External chemical identifiers:
CID:520485, SureChEMBL:SCHEMBL21986655

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Chemical structure information

SMILES:
CCCC(=O)OCCCC=C

InChI:
InChI=1S/C9H16O2/c1-3-5-6-8-11-9(10)7-4-2/h3H,1,4-8H2,2H3

InChIKey:
DTGXDHGNUDOWJS-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)OCCCC=C

Functional groups:
C=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: 0.812

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Chemical structure download