Molecule ID: 13886990

IUPAC Name: [3-hydroxy-2-[(Z)-octadec-9-enoyl]oxypropyl] octadecanoate

Description: The molecule is a 1,2-diglyceride with stearoyl and oleoyl as the acyl groups. It derives from an oleic acid and an octadecanoic acid.

SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCCC

SELFIES: [C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][O][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]

InChI: InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,37,40H,3-17,19,21-36H2,1-2H3/b20-18-

Molecular Properties:
- Polar Surface Area: 72.8 Ų
- LogP: 15.3