Summary

IMPPAT Phytochemical identifier: IMPHY012774

Phytochemical name: 17-Octadecen-9-ynoic acid

Synonymous chemical names:
17-octadecen-9-ynoic acid

External chemical identifiers:
CID:5312690, ChEBI:173143, ZINC:ZINC000014616353

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Chemical structure information

SMILES:
C=CCCCCCCC#CCCCCCCCC(=O)O

InChI:
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2H,1,3-8,11-17H2,(H,19,20)

InChIKey:
JSDJDUFIGGRVBJ-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCCCC#CCCCCCCCC=O)O

Functional groups:
C=CC, CC#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 acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.978

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Chemical structure download