Summary

IMPPAT Phytochemical identifier: IMPHY015672

Phytochemical name: Ethyl 10-undecenoate

Synonymous chemical names:
ethyl undec-10-enoate

External chemical identifiers:
CID:12729, ChEMBL:CHEMBL3182950, ChEBI:171792, ZINC:ZINC000002031414, FDASRS:7P1S77T8BF, SureChEMBL:SCHEMBL53665

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Chemical structure information

SMILES:
C=CCCCCCCCCC(=O)OCC

InChI:
InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3H,1,4-12H2,2H3

InChIKey:
FXNFFCMITPHEIT-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCCCCCC=O)OCC

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: 0.581

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Chemical structure download