Summary

IMPPAT Phytochemical identifier: IMPHY013894

Phytochemical name: Octadecenoic acid, (E)-

Synonymous chemical names:
octadecenoic acid

External chemical identifiers:
CID:172146, ChEBI:50573

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC=CC(=O)O

InChI:
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)

InChIKey:
LKOVPWSSZFDYPG-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=CC=O)O

Functional groups:
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: 0.871

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Chemical structure download