Summary

IMPPAT Phytochemical identifier: IMPHY017027

Phytochemical name: Ethyl 5-hydroxyhexanoate

Synonymous chemical names:
ethyl 5-hydroxyhexanoate

External chemical identifiers:
CID:12429702, SureChEMBL:SCHEMBL2112334

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Chemical structure information

SMILES:
CCOC(=O)CCCC(O)C

InChI:
InChI=1S/C8H16O3/c1-3-11-8(10)6-4-5-7(2)9/h7,9H,3-6H2,1-2H3

InChIKey:
YUQVKXFPYUHIIF-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)CCCCO)C

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 acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.914

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Chemical structure download