Summary

IMPPAT Phytochemical identifier: IMPHY005348

Phytochemical name: Octadeca-6,9,12,15-tetraenoic acid

Synonymous chemical names:
octadeca-6,9,12,15-tetraenoic acid

External chemical identifiers:
CID:163841

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Chemical structure information

SMILES:
CCC=CCC=CCC=CCC=CCCCCC(=O)O

InChI:
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)

InChIKey:
JIWBIWFOSCKQMA-UHFFFAOYSA-N

DeepSMILES:
CCC=CCC=CCC=CCC=CCCCCC=O)O

Functional groups:
CC(=O)O, CC=CC

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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: 1.305

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Chemical structure download