Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000471

Phytochemical name: Hexadecanal

Synonymous chemical names:
Hexadecanal, palmitaldehyde, hexadecanal

External chemical identifiers:
CID:CID_984, ChEMBL:CHEMBL1235338, ChEBI:CHEBI:17600, ZINC:ZINC000008216082, FDASRS:WQD27655QE, SureChEMBL:SCHEMBL4481, MolPort-001-784-298

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC=O

InChI:
InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3

InChIKey:
NIOYUNMRJMEDGI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O

Functional groups:
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: 0.816

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Chemical structure download