Summary

IMPPAT Phytochemical identifier: IMPHY006311

Phytochemical name: 12-Acetyloctadec-9-enoic acid

Synonymous chemical names:
12-acetyloctadec-9-enoic-acid

External chemical identifiers:
CID:54427730

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Chemical structure information

SMILES:
CCCCCCC(C(=O)C)CC=CCCCCCCCC(=O)O

InChI:
InChI=1S/C20H36O3/c1-3-4-5-12-15-19(18(2)21)16-13-10-8-6-7-9-11-14-17-20(22)23/h10,13,19H,3-9,11-12,14-17H2,1-2H3,(H,22,23)

InChIKey:
WFHQPQKXTIDYEO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC=O)C))CC=CCCCCCCCC=O)O

Functional groups:
CC(=O)O, CC(C)=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: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Branched fatty acids

NP-Likeness score: 1.333

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Chemical structure download