Molecule ID: 132472319

IUPAC Name: (7Z,10Z,12E,14E,17S,19Z)-16,17-dihydroxydocosa-7,10,12,14,19-pentaenoic acid

Description: The molecule is a dihydroxydocosapentaenoic acid (DiHDPE) that is (7Z,10Z,13E,14E,19Z)-docosapentaenoic acid carrying two hydroxy substituents at the 16 and 17-S positions. It is an intermediate of specialised proresolving mediators. It has a role as a human xenobiotic metabolite and a specialised pro-resolving mediator. It is a conjugate acid of a 16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoate.

SMILES: CC/C=C\C[C@H](O)C(O)/C=C/C=C/C=C\C/C=C\CCCCCC(=O)O

SELFIES: [C][C][/C][=C][\C][C@H1][Branch1][C][O][C][Branch1][C][O][/C][=C][/C][=C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C22H34O4/c1-2-3-14-17-20(23)21(24)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(25)26/h3,5-8,10,12,14-15,18,20-21,23-24H,2,4,9,11,13,16-17,19H2,1H3,(H,25,26)/b7-5-,8-6-,12-10+,14-3-,18-15+/t20-,21?/m0/s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 4.7