Summary

IMPPAT Phytochemical identifier: IMPHY004970

Phytochemical name: Octadecadienoic acid

Synonymous chemical names:
octadecadienoic acid, octadecadienoicacid

External chemical identifiers:
CID:5312457, ZINC:ZINC000070455426, SureChEMBL:SCHEMBL135345

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Chemical structure information

SMILES:
CCCCCCCCCCCCC/C=C/C=C/C(=O)O

InChI:
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h14-17H,2-13H2,1H3,(H,19,20)/b15-14+,17-16+

InChIKey:
ADHNUPOJJCKWRT-JLXBFWJWSA-N

DeepSMILES:
CCCCCCCCCCCCC/C=C/C=C/C=O)O

Functional groups:
C/C=C/C=C/C(=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: Lineolic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Unsaturated fatty acids

NP-Likeness score: 1.268

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Chemical structure download