Summary

IMPPAT Phytochemical identifier: IMPHY016812

Phytochemical name: Pentanoic acid, 2-penten-1-yl ester (Z)-

Synonymous chemical names:
pentanoic acid, 2-penten-1-yl ester (z)-

External chemical identifiers:
CID:5367937

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Chemical structure information

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

InChI:
InChI=1S/C10H18O2/c1-3-5-7-9-12-10(11)8-6-4-2/h5,7H,3-4,6,8-9H2,1-2H3/b7-5-

InChIKey:
OOOOZEUSWYVZBU-ALCCZGGFSA-N

DeepSMILES:
CCCCC=O)OC/C=CCC

Functional groups:
C/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: 0.908

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Chemical structure download