Summary

IMPPAT Phytochemical identifier: IMPHY017374

Phytochemical name: 2-Hexadecenoic acid, methyl ester, (E)-

Synonymous chemical names:
methyl hexadecenoate

External chemical identifiers:
CID:5362679, SureChEMBL:SCHEMBL3710791

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Chemical structure information

SMILES:
CCCCCCCCCCCCC/C=C/C(=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/h15-16H,3-14H2,1-2H3/b16-15+

InChIKey:
ODPLFJYILBATKC-FOCLMDBBSA-N

DeepSMILES:
CCCCCCCCCCCCC/C=C/C=O)OC

Functional groups:
C/C=C/C(=O)OC

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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: 0.912

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Chemical structure download