Summary

IMPPAT Phytochemical identifier: IMPHY012714

Phytochemical name: 9,12-Octadecadienoic acid

Synonymous chemical names:
9, 12 octadecadienoic acid†, 9,12, octadecenoic acid (linoleic), 9,12- octadecadienoic acid, 9,12-octadecenoic acid, octadeca-9,12-dienoic acid

External chemical identifiers:
CID:3931, ChEBI:92157

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Chemical structure information

SMILES:
CCCCCC=CCC=CCCCCCCCC(=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/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)

InChIKey:
OYHQOLUKZRVURQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=CCC=CCCCCCCCC=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: 1.187

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Chemical structure download