Summary

IMPPAT Phytochemical identifier: IMPHY002583

Phytochemical name: 14-Ketostearic acid methyl ester

Synonymous chemical names:
methyl 14-oxooctadecanoate, methyl-14-oxooctadecanoate

External chemical identifiers:
CID:13991164, ZINC:ZINC000034203252

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Chemical structure information

SMILES:
CCCCC(=O)CCCCCCCCCCCCC(=O)OC

InChI:
InChI=1S/C19H36O3/c1-3-4-15-18(20)16-13-11-9-7-5-6-8-10-12-14-17-19(21)22-2/h3-17H2,1-2H3

InChIKey:
CZIMTJBUEYHHCM-UHFFFAOYSA-N

DeepSMILES:
CCCCC=O)CCCCCCCCCCCCC=O)OC

Functional groups:
CC(C)=O, COC(C)=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 acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Oxo fatty acids

NP-Likeness score: 0.408

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Chemical structure download