Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000195

Phytochemical name: Arachidic acid

Synonymous chemical names:
arachic acid, arachidic acid, eicosanic acid, 2,4-arachidic acid, Eicosanoic acid, eicosanoic acid, arachic, arachidic-acid, Arachidic acid, eicosanoic, arachidic

External chemical identifiers:
CID:CID_10467, ChEMBL:CHEMBL1173381, ChEBI:CHEBI:28822, ZINC:ZINC000006920376, FDASRS:PQB8MJD4RB, SureChEMBL:SCHEMBL6539, MolPort-002-534-221

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)

InChIKey:
VKOBVWXKNCXXDE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCC=O)O

Functional groups:
CC(=O)O

Link to spectral information:
MSBNK-Antwerp_Univ-METOX_N100926_B8BB, MSBNK-Antwerp_Univ-METOX_N100927_9C9C, MSBNK-Antwerp_Univ-METOX_N100927_9CB7, MSBNK-Osaka_Univ-OUF00274

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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: 0.315

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Chemical structure download