Summary

IMPPAT Phytochemical identifier: IMPHY008679

Phytochemical name: Hexadecanoic acid, 11-hydroxy-, ethyl ester

Synonymous chemical names:
ethyl-11-hydroxyhexadecanoate

External chemical identifiers:
CID:11066542, SureChEMBL:SCHEMBL5998818

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Chemical structure information

SMILES:
CCCCCC(CCCCCCCCCC(=O)OCC)O

InChI:
InChI=1S/C18H36O3/c1-3-5-11-14-17(19)15-12-9-7-6-8-10-13-16-18(20)21-4-2/h17,19H,3-16H2,1-2H3

InChIKey:
SLAOYZSISBHPRR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)OCC)))))))))))))O

Functional groups:
CO, 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 alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.605

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Chemical structure download