Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003896

Phytochemical name: (E,Z)-1,3,5-Tridecatriene-7,9,11-triyne

Synonymous chemical names:
trideca-1,3,5-trien-7,9,11-triyne, Trideca-1,3,5-triene-7,9,11-triyne

External chemical identifiers:
CID:CID_5352700, ZINC:ZINC000095919123

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Chemical structure information

SMILES:
CC#CC#CC#C/C=C\C=C\C=C

InChI:
InChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7,9,11H,1H2,2H3/b7-5+,11-9-

InChIKey:
AJWRNFIZKHPOHC-STRRHFTISA-N

DeepSMILES:
CC#CC#CC#C/C=C\C=C\C=C

Functional groups:
C=C/C=C/C=C\C#CC#CC#CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Enynes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 3.343

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Chemical structure download