Molecule ID: 5312419

IUPAC Name: (Z)-hexadec-6-enoic acid

Description: The molecule is a hexadecenoic acid in which the double bond is located at position 6 (the Z-geoisomer). A major component of human sebaceous lipids that is involved in skin self-sterilisation and atopic dermatitis amelioration. It has a role as an antibacterial agent, an antipsoriatic and a metabolite. It is a conjugate acid of a sapienate.

SMILES: CCCCCCCCC/C=C\CCCCC(=O)O

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

InChI: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h10-11H,2-9,12-15H2,1H3,(H,17,18)/b11-10-

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 6.2