Summary

IMPPAT Phytochemical identifier: IMPHY016739

Phytochemical name: Methyl 3-hydroxydecanoate

Synonymous chemical names:
methyl 3-hydroxydecanoate

External chemical identifiers:
CID:521747, SureChEMBL:SCHEMBL1271079, MolPort-035-882-130

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Chemical structure information

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

InChI:
InChI=1S/C11H22O3/c1-3-4-5-6-7-8-10(12)9-11(13)14-2/h10,12H,3-9H2,1-2H3

InChIKey:
UBVACUZVNTVHTE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC=O)OC))))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 Acids and Conjugates, Fatty esters

NP Classifier Class: Hydroxy fatty acids, Wax monoesters

NP-Likeness score: 1.123

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Chemical structure download