Summary

IMPPAT Phytochemical identifier: IMPHY009877

Phytochemical name: 2-Hexadecenal

Synonymous chemical names:
(e)-2-hexadecenal, hexadecenal

External chemical identifiers:
CID:5280541, ChEBI:17585, ZINC:ZINC000008217876, FDASRS:Z79H35Z0RU, SureChEMBL:SCHEMBL1783148, MolPort-006-394-264

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Chemical structure information

SMILES:
CCCCCCCCCCCCC/C=C/C=O

InChI:
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h14-16H,2-13H2,1H3/b15-14+

InChIKey:
KLJFYXOVGVXZKT-CCEZHUSRSA-N

DeepSMILES:
CCCCCCCCCCCCC/C=C/C=O

Functional groups:
C/C=C/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 aldehydes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 1.31

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Chemical structure download