Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003394

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

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

External chemical identifiers:
CID:CID_5352708

---

Chemical structure information

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

InChI:
InChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7H,1H2,2H3/b6-4-,7-5-

InChIKey:
KAGUESUDHDXNCN-PEPZGXQESA-N

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

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

---

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-Likeness score: 2.886

---

Chemical structure download