Summary

IMPPAT Phytochemical identifier: IMPHY011046

Phytochemical name: 9-Octadecenal

Synonymous chemical names:
9-octadecenal

External chemical identifiers:
CID:5283381, ChEMBL:CHEMBL190707, ChEBI:173892, FDASRS:979G27P46D, SureChEMBL:SCHEMBL260834

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Chemical structure information

SMILES:
CCCCCCCC/C=C/CCCCCCCC=O

InChI:
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,18H,2-8,11-17H2,1H3/b10-9+

InChIKey:
ZENZJGDPWWLORF-MDZDMXLPSA-N

DeepSMILES:
CCCCCCCC/C=C/CCCCCCCC=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: 1.044

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Chemical structure download