Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018220

Phytochemical name: Methyl hexadecadienoate

Synonymous chemical names:
Methyl hexadecadienoate

External chemical identifiers:
CID:CID_6443015

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Chemical structure information

SMILES:
CCCCCCCCCCC/C=C/C=C/C(=O)OC

InChI:
InChI=1S/C17H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h13-16H,3-12H2,1-2H3/b14-13+,16-15+

InChIKey:
ACUIYXOOZPHRRA-ZBMVRHCNSA-N

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

Functional groups:
C/C=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: 1.264

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Chemical structure download