Molecule ID: 132472332

IUPAC Name: (4Z,7Z,10Z,13Z,15E)-15-[(3R)-3-[(Z)-pent-2-enyl]oxiran-2-ylidene]pentadeca-4,7,10,13-tetraenoate

Description: The molecule is a docosanoid anion that is the conjugate base of 17R,(16)-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosahexa-4,7,10,13,15,19-enoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a docosanoid anion, a long-chain fatty acid anion and a polyunsaturated fatty acid anion. It is a conjugate base of a 17R,(16)-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosahexa-4,7,10,13,15,19-enoic acid.

SMILES: CC/C=C\C[C@H]1O/C1=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-]

SELFIES: [C][C][/C][=C][\C][C@H1][O][/C][Ring1][Ring1][=C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C22H30O3/c1-2-3-14-17-20-21(25-20)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(23)24/h3,5-8,11-15,18,20H,2,4,9-10,16-17,19H2,1H3,(H,23,24)/p-1/b7-5-,8-6-,13-11-,14-3-,15-12-,21-18+/t20-/m1/s1

Molecular Properties:
- Polar Surface Area: 52.7 Ų
- LogP: 5.9