Summary

IMPPAT Phytochemical identifier: IMPHY007414

Phytochemical name: Arachidyl arachidate

Synonymous chemical names:
eicosanoic acid eicosyl ester, eicosanoic acid,eicosyl ester

External chemical identifiers:
CID:89711, ZINC:ZINC000062239017, FDASRS:74971HLF1A

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C40H80O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3

InChIKey:
VJFBRZCPEBSUHG-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCOC=O)CCCCCCCCCCCCCCCCCCC

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: 0.093

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Chemical structure download