Molecule ID: 5461007

IUPAC Name: nan

Description: The molecule is a straight-chain polyunsaturated fatty acid comprising tridecanoic acid having (E)- and (Z)-double bonds at positions 3 and 5 respectively, an allenic system at positions 7-9 and triple bonds at positions 10 and 12. It is a long-chain fatty acid, a polyunsaturated fatty acid, a straight-chain fatty acid, an acetylenic fatty acid, an allenic fatty acid and a terminal acetylenic compound.

SMILES: C#CC#CC=C=C/C=C\C=C\CC(=O)O

SELFIES: [C][#C][C][#C][C][=C][=C][/C][=C][\C][=C][\C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h1,5,7-11H,12H2,(H,14,15)/b9-8-,11-10+

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 1.9