Summary

IMPPAT Phytochemical identifier: IMPHY012824

Phytochemical name: 9,17-Octadecadienal, (Z)-

Synonymous chemical names:
(z)-9,17-octadecadienal, 9, 17-octadecadienal (z)

External chemical identifiers:
CID:5365667, SureChEMBL:SCHEMBL3966133

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Chemical structure information

SMILES:
C=CCCCCCC/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/h2,9-10,18H,1,3-8,11-17H2/b10-9-

InChIKey:
RXORHYFDDNAOQS-KTKRTIGZSA-N

DeepSMILES:
C=CCCCCCC/C=CCCCCCCCC=O

Functional groups:
C/C=CC, 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: 1.146

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Chemical structure download