Summary

IMPPAT Phytochemical identifier: IMPHY012764

Phytochemical name: 7-Hexadecenal

Synonymous chemical names:
7-hexadecenal

External chemical identifiers:
CID:5283374, ZINC:ZINC000085836506, SureChEMBL:SCHEMBL9576693

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Chemical structure information

SMILES:
CCCCCCCC/C=C/CCCCCC=O

InChI:
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h9-10,16H,2-8,11-15H2,1H3/b10-9+

InChIKey:
BLJFSPZWKBTYHR-MDZDMXLPSA-N

DeepSMILES:
CCCCCCCC/C=C/CCCCCC=O

Functional groups:
C/C=C/C, CC=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: 1.167

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Chemical structure download