Summary

IMPPAT Phytochemical identifier: IMPHY004903

Phytochemical name: Juniperonic acid

Synonymous chemical names:
(5z,11z,14z,17z)-5,11,14,17-eicosatetraenoic acid

External chemical identifiers:
CID:5312543, ChEBI:82835, ZINC:ZINC000033822161, SureChEMBL:SCHEMBL6119205

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Chemical structure information

SMILES:
CC/C=CC/C=CC/C=CCCCC/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/h3-4,6-7,9-10,15-16H,2,5,8,11-14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,16-15-

InChIKey:
JDKIKEYFSJUYJZ-OUJQXAOTSA-N

DeepSMILES:
CC/C=CC/C=CC/C=CCCCC/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: 1.213

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Chemical structure download