Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID008922

Phytochemical name: Ethyl arachidate

Synonymous chemical names:
ethyl arachidate, Ethyl eicosanoate, Ethyl arachidate, ethylarachidate, ethyl eicosanoate

External chemical identifiers:
CID:CID_29009, ChEBI:CHEBI:84859, ZINC:ZINC000085663678, FDASRS:KKI20ZX76X, SureChEMBL:SCHEMBL5204092, MolPort-003-940-337

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCC(=O)OCC

InChI:
InChI=1S/C22H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h3-21H2,1-2H3

InChIKey:
YBKSMWBLSBAFBQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCC=O)OCC

Functional groups:
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: 0.101

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Chemical structure download