Summary

IMPPAT Phytochemical identifier: IMPHY012767

Phytochemical name: 9,12,15-Octadecatrienal

Synonymous chemical names:
9,12,15 octadecatrienal, 9,12,15-octadecatrienal

External chemical identifiers:
CID:5283384, ZINC:ZINC000033820581, SureChEMBL:SCHEMBL910331

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Chemical structure information

SMILES:
O=CCCCCCCC/C=C/C/C=C/C/C=C/CC

InChI:
InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,18H,2,5,8,11-17H2,1H3/b4-3+,7-6+,10-9+

InChIKey:
TUCMDDWTBVMRTP-IUQGRGSQSA-N

DeepSMILES:
O=CCCCCCCC/C=C/C/C=C/C/C=C/CC

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: 1.559

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Chemical structure download