Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002135

Phytochemical name: Methyl arachidate

Synonymous chemical names:
Methyl arachidate, arachidic acid methyl ester, methyl arachidate, Methyl eicosanoate, methyl ester of eicosanoic acid, methyl eicosanoate, eicosanoic acid, methyl ester

External chemical identifiers:
CID:CID_14259, ChEBI:CHEBI:143582, ZINC:ZINC000070455484, FDASRS:0ZH75194U0, SureChEMBL:SCHEMBL586921, MolPort-003-925-868

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCC(=O)OC

InChI:
InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3

InChIKey:
QGBRLVONZXHAKJ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCC=O)OC

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: 0.209

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Chemical structure download