Summary

IMPPAT Phytochemical identifier: IMPHY017775

Phytochemical name: Propyl myristate

Synonymous chemical names:
propyl tetradecanoate

External chemical identifiers:
CID:84338, ChEMBL:CHEMBL207607, ZINC:ZINC000043523731, SureChEMBL:SCHEMBL318122, MolPort-006-120-969

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC(=O)OCCC

InChI:
InChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16-4-2/h3-16H2,1-2H3

InChIKey:
DPBVJRXPSXTHOL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCC=O)OCCC

Functional groups:
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: 0.12

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Chemical structure download