Summary

IMPPAT Phytochemical identifier: IMPHY012094

Phytochemical name: Butyl myristate

Synonymous chemical names:
butyl myristate

External chemical identifiers:
CID:8047, ChEMBL:CHEMBL206900, ZINC:ZINC000043523929, FDASRS:O061W4C37H, SureChEMBL:SCHEMBL43540, MolPort-006-110-648

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC(=O)OCCCC

InChI:
InChI=1S/C18H36O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18(19)20-17-6-4-2/h3-17H2,1-2H3

InChIKey:
DHAZIUXMHRHVMP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCC=O)OCCCC

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: 0.165

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Chemical structure download