Summary

IMPPAT Phytochemical identifier: IMPHY017641

Phytochemical name: (8Z,11Z)-Heptadecadienal

Synonymous chemical names:
(z,z)-heptadeca-8,11-dienal

External chemical identifiers:
CID:6430322, SureChEMBL:SCHEMBL10616437

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Chemical structure information

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

InChI:
InChI=1S/C17H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h6-7,9-10,17H,2-5,8,11-16H2,1H3/b7-6-,10-9-

InChIKey:
JEBIMSVVDVTZIY-HZJYTTRNSA-N

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

Functional groups:
C/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: 1.455

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Chemical structure download