Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005676

Phytochemical name: Methyl palmitoleate

Synonymous chemical names:
Methyl palmitoleate, methyl palmitoleate

External chemical identifiers:
CID:CID_643801, ChEBI:CHEBI:84156, ZINC:ZINC000100006508, FDASRS:35695QDB9F, SureChEMBL:SCHEMBL440468, MolPort-003-938-957

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Chemical structure information

SMILES:
CCCCCC/C=C\CCCCCCCC(=O)OC

InChI:
InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8-

InChIKey:
IZFGRAGOVZCUFB-HJWRWDBZSA-N

DeepSMILES:
CCCCCC/C=C\CCCCCCCC=O)OC

Functional groups:
C/C=C\C, 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: 0.804

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Chemical structure download