Summary

IMPPAT Phytochemical identifier: IMPHY014644

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

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

External chemical identifiers:
CID:129706500, ZINC:ZINC000225000623

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Chemical structure information

SMILES:
CC#CC#CCC/C=CC(=O)NCC(C)C

InChI:
InChI=1S/C14H19NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h10-11,13H,8-9,12H2,1-3H3,(H,15,16)/b11-10-

InChIKey:
ZERNNWQXDADXOF-KHPPLWFESA-N

DeepSMILES:
CC#CC#CCC/C=CC=O)NCCC)C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboximidic acids and derivatives

ClassyFire Subclass: Carboximidic acids

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.605

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Chemical structure download