Summary

IMPPAT Phytochemical identifier: IMPHY017401

Phytochemical name: (Z)-14-Methylhexadec-8-enal

Synonymous chemical names:
(z)-14-methyl-8-hexadecenal

External chemical identifiers:
CID:5364688, SureChEMBL:SCHEMBL593170

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Chemical structure information

SMILES:
O=CCCCCCC/C=CCCCCC(CC)C

InChI:
InChI=1S/C17H32O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h5,7,16-17H,3-4,6,8-15H2,1-2H3/b7-5-

InChIKey:
HSGUJTMCFWXGAP-ALCCZGGFSA-N

DeepSMILES:
O=CCCCCCC/C=CCCCCCCC))C

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: 1.505

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Chemical structure download