Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID013130

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

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

External chemical identifiers:
CID:CID_5365667, SureChEMBL:SCHEMBL3966133

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Chemical structure information

SMILES:
C=CCCCCCC/C=C\CCCCCCCC=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=C\CCCCCCCC=O

Functional groups:
C=CC, 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: 1.146

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Chemical structure download