Summary

IMPPAT Phytochemical identifier: IMPHY004302

Phytochemical name: Arachidonic acid

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

External chemical identifiers:
CID:444899, ChEMBL:CHEMBL15594, ChEBI:15843, ZINC:ZINC000004474696, FDASRS:27YG812J1I, SureChEMBL:SCHEMBL16162, MolPort-003-666-529

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Chemical structure information

SMILES:
CCCCC/C=CC/C=CC/C=CC/C=CCCCC(=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=CC/C=CC/C=CC/C=CCCCC=O)O

Functional groups:
C/C=CC, 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: 1.058

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Chemical structure download