Summary

IMPPAT Phytochemical identifier: IMPHY012766

Phytochemical name: (9Z,12Z)-octadeca-9,12-dienal

Synonymous chemical names:
linoleyl aldehyde

External chemical identifiers:
CID:5463066, ZINC:ZINC000013548595, SureChEMBL:SCHEMBL881335, MolPort-047-634-286

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Chemical structure information

SMILES:
CCCCC/C=CC/C=CCCCCCCCC=O

InChI:
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,18H,2-5,8,11-17H2,1H3/b7-6-,10-9-

InChIKey:
HXLZULGRVFOIDK-HZJYTTRNSA-N

DeepSMILES:
CCCCC/C=CC/C=CCCCCCCCC=O

Functional groups:
C/C=CC, 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: 1.379

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Chemical structure download