Summary

IMPPAT Phytochemical identifier: IMPHY016741

Phytochemical name: Methyl 3-hydroxytetradecanoate

Synonymous chemical names:
methyl 3-hydroxytetradecanoate

External chemical identifiers:
CID:180523, SureChEMBL:SCHEMBL2504944, MolPort-035-882-141

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Chemical structure information

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

InChI:
InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18-2/h14,16H,3-13H2,1-2H3

InChIKey:
UOZZAMWODZQSOA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCC=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

NP Classifier Class: Hydroxy fatty acids

NP-Likeness score: 0.873

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Chemical structure download