Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018257

Phytochemical name: Methyl arachidonate

Synonymous chemical names:
Methyl arachidonate

External chemical identifiers:
CID:CID_6421258, ChEBI:CHEBI:78033, ZINC:ZINC000004521157, FDASRS:22AF6IJ1IJ, SureChEMBL:SCHEMBL23820, Molport-003-925-864

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Chemical structure information

SMILES:
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC

InChI:
InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3/b8-7-,11-10-,14-13-,17-16-

InChIKey:
OFIDNKMQBYGNIW-ZKWNWVNESA-N

DeepSMILES:
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC=O)OC

Functional groups:
C/C=C\C, 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: Eicosanoids

NP Classifier Class: Other Eicosanoids

NP-Likeness score: 0.92

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Chemical structure download