Summary

IMPPAT Phytochemical identifier: IMPHY001470

Phytochemical name: 3-Pentadecenal

Synonymous chemical names:
3-pentadecenal

External chemical identifiers:
CID:15138499, ZINC:ZINC000086040403, SureChEMBL:SCHEMBL5328389

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Chemical structure information

SMILES:
CCCCCCCCCCC/C=C/CC=O

InChI:
InChI=1S/C15H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h12-13,15H,2-11,14H2,1H3/b13-12+

InChIKey:
CLUQHDODXPPERO-OUKQBFOZSA-N

DeepSMILES:
CCCCCCCCCCC/C=C/CC=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: 1.534

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Chemical structure download