Summary

IMPPAT Phytochemical identifier: IMPHY014521

Phytochemical name: (z)-Non-2-en-6,8-diynoic acid isobutylamide

Synonymous chemical names:
(z)non-2-en-6,8-diynoic acid isobutylamide

External chemical identifiers:
CID:92033736

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Chemical structure information

SMILES:
CC(CNC(=O)/C=CCCC#CC#C)C

InChI:
InChI=1S/C13H17NO/c1-4-5-6-7-8-9-10-13(15)14-11-12(2)3/h1,9-10,12H,7-8,11H2,2-3H3,(H,14,15)/b10-9-

InChIKey:
RITIPEBSFZSULI-KTKRTIGZSA-N

DeepSMILES:
CCCNC=O)/C=CCCC#CC#C)))))))))))C

Functional groups:
C#CC#CC, C/C=CC(=O)NC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty amides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty amides

NP Classifier Class: N-acyl amines

NP-Likeness score: 1.424

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Chemical structure download