Summary

IMPPAT Phytochemical identifier: IMPHY005563

Phytochemical name: (8E,11E,14E)-icosa-8,11,14-trienoic acid

Synonymous chemical names:
(z,z,z)-8,11,14-eicosatrienoic-acid

External chemical identifiers:
CID:5282826, ZINC:ZINC000033820311, SureChEMBL:SCHEMBL278573, MolPort-006-148-076

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Chemical structure information

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

InChI:
InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+

InChIKey:
HOBAELRKJCKHQD-YHTMAJSVSA-N

DeepSMILES:
CCCCC/C=C/C/C=C/C/C=C/CCCCCCC=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