Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001843

Phytochemical name: Eicosadienoic acid

Synonymous chemical names:
eicosadienoic acid, Eicosadienoic acid, eicosadienic-acid

External chemical identifiers:
CID:CID_6439848, ChEMBL:CHEMBL464983, ChEBI:CHEBI:73731, ZINC:ZINC000008860490, SureChEMBL:SCHEMBL416181

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Chemical structure information

SMILES:
CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O

InChI:
InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-

InChIKey:
XSXIVVZCUAHUJO-HZJYTTRNSA-N

DeepSMILES:
CCCCC/C=C\C/C=C\CCCCCCCCCC=O)O

Functional groups:
C/C=C\C, CC(=O)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 acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Unsaturated fatty acids

NP-Likeness score: 1.079

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Chemical structure download