Summary

IMPPAT Phytochemical identifier: IMPHY011481

Phytochemical name: 1,3(E),5(Z),11(E)-Tridecatetraen-7,9-diyne

Synonymous chemical names:
(3e,5z,11e) trideca-1,3,5,11-tetraene-7,9-diyne, (3e,5z,11e)-1,3,5,11-tridecatetraene-7,9-diyne, (e,z,e)-1,3,5,11-tridecatetraene-7,9-diyne

External chemical identifiers:
CID:5352702, ZINC:ZINC000095919121

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Chemical structure information

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

InChI:
InChI=1S/C13H12/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7,9,11H,1H2,2H3/b6-4+,7-5+,11-9-

InChIKey:
ASVIELUINMCNMW-HZBLWPETSA-N

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

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

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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: Fatty alcohols, Hydrocarbons

NP-Likeness score: 3.018

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Chemical structure download