Summary

IMPPAT Phytochemical identifier: IMPHY004052

Phytochemical name: (E)-1,11-Tridecadiene-3,5,7,9-tetrayne

Synonymous chemical names:
(11-z) trideca-1,11-diene-3,5,7,9-tetrayne, (e)-1,11-tridecadiene-3,5,7,9-tetrayne, 1,11-tridecadien-3,5,7,9-tetrayne (i), 1,11-tridecadiene-3,5,7,9-tetrayne, trideca-1,11-dien-3,5,7,9-tetrayne

External chemical identifiers:
CID:5352703

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Chemical structure information

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

InChI:
InChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4,6H,1H2,2H3/b6-4-

InChIKey:
KBEMPFYJJCTZIG-XQRVVYSFSA-N

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

Functional groups:
C=CC#CC#CC#CC#C/C=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: Fatty alcohols, Hydrocarbons

NP-Likeness score: 2.432

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Chemical structure download