Molecule ID: 5312839

IUPAC Name: (Z)-8-hydroxyoctadec-13-en-9,11-diynoic acid

Description: The molecule is an octadecenediynoic acid that is stearic acid with a cis double bond at position 13, two triple bonds at positions 9 and 11, and a hydroxy group at C-8. It has a role as a metabolite. It is an octadecenediynoic acid and a hydroxy fatty acid. It derives from an octadecanoic acid.

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

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

InChI: InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h5-6,17,19H,2-4,9-10,12-13,15-16H2,1H3,(H,20,21)/b6-5-

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 4.4