Summary

IMPPAT Phytochemical identifier: IMPHY005947

Phytochemical name: Myristyl oleate

Synonymous chemical names:
myristyl oleate

External chemical identifiers:
CID:5365034, ChEBI:165694, ZINC:ZINC000100112753, FDASRS:OK78K2PL0J, SureChEMBL:SCHEMBL155426

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCOC(=O)CCCCCCC/C=CCCCCCCCC

InChI:
InChI=1S/C32H62O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(33)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18H,3-16,19-31H2,1-2H3/b18-17-

InChIKey:
DHZWALZKPWZSMA-ZCXUNETKSA-N

DeepSMILES:
CCCCCCCCCCCCCCOC=O)CCCCCCC/C=CCCCCCCCC

Functional groups:
C/C=CC, 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: 0.422

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Chemical structure download