Summary

IMPPAT Phytochemical identifier: IMPHY016645

Phytochemical name: Ethyl 3-hydroxydecanoate

Synonymous chemical names:
ethyl 3-hydroxydecanoate

External chemical identifiers:
CID:11031260, SureChEMBL:SCHEMBL319981

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Chemical structure information

SMILES:
CCCCCCCC(CC(=O)OCC)O

InChI:
InChI=1S/C12H24O3/c1-3-5-6-7-8-9-11(13)10-12(14)15-4-2/h11,13H,3-10H2,1-2H3

InChIKey:
NOAJFMNAQIUPEX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC=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: 0.92

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Chemical structure download