Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000032

Phytochemical name: Undecanal

Synonymous chemical names:
Undecanal, undecanal, n-undecanal, hendecanal

External chemical identifiers:
CID:CID_8186, ChEMBL:CHEMBL1236576, ChEBI:CHEBI:46202, ZINC:ZINC000001595727, FDASRS:B6P0A9PSHN, SureChEMBL:SCHEMBL22333, MolPort-001-787-580

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Chemical structure information

SMILES:
CCCCCCCCCCC=O

InChI:
InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3

InChIKey:
KMPQYAYAQWNLME-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC=O

Functional groups:
CC=O

Link to spectral information:
MSBNK-Fac_Eng_Univ_Tokyo-JP008689

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 1.156

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Chemical structure download