Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002046

Phytochemical name: Arachidonic acid

Synonymous chemical names:
arachidonic acid, arachidonates, arachidonic-acid

External chemical identifiers:
CID:CID_444899, ChEMBL:CHEMBL15594, ChEBI:CHEBI:15843, ZINC:ZINC000004474696, FDASRS:27YG812J1I, SureChEMBL:SCHEMBL16162, MolPort-003-666-529

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Chemical structure information

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

InChI:
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-

InChIKey:
YZXBAPSDXZZRGB-DOFZRALJSA-N

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

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

Link to spectral information:
MSBNK-ISAS_Dortmund-IA000363, MSBNK-MSSJ-MSJ00047, MSBNK-Metabolon-MT000113, MSBNK-RIKEN-PR100899, MSBNK-Washington_State_Univ-BML80768, MSBNK-Washington_State_Univ-BML80765, MSBNK-Washington_State_Univ-BML80766, MSBNK-Washington_State_Univ-BML80767, MSBNK-ISAS_Dortmund-IA000362, MSBNK-RIKEN-PR311033, MSBNK-ISAS_Dortmund-IA000361, MSBNK-ISAS_Dortmund-IA000244, MSBNK-ISAS_Dortmund-IA000245, MSBNK-ISAS_Dortmund-IA000246, MSBNK-ISAS_Dortmund-IA000072, MSBNK-ISAS_Dortmund-IA000071, MSBNK-ISAS_Dortmund-IA000070, MSBNK-BS-BS003982, MSBNK-BS-BS003981, MSBNK-BS-BS003980, MSBNK-BS-BS003979, MSBNK-BS-BS003978

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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: 1.058

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Chemical structure download