Summary

IMPPAT Phytochemical identifier: IMPHY013324

Phytochemical name: Methyl alpha-eleostearate

Synonymous chemical names:
methyl alpha-eleostearate

External chemical identifiers:
CID:21718552, ZINC:ZINC000005509906, FDASRS:488JU9AX5I, SureChEMBL:SCHEMBL16869366

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Chemical structure information

SMILES:
CCCC/C=C/C=C/C=CCCCCCCCC(=O)OC

InChI:
InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h6-11H,3-5,12-18H2,1-2H3/b7-6+,9-8+,11-10-

InChIKey:
KOJYENXGDXRGDK-ZUGARUELSA-N

DeepSMILES:
CCCC/C=C/C=C/C=CCCCCCCCC=O)OC

Functional groups:
C/C=CC=CC=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: Lineolic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Unsaturated fatty acids

NP-Likeness score: 1.113

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Chemical structure download