Molecule ID: 129626678

IUPAC Name: (5S,6E,8Z,11Z,13E,15S)-15-hydroperoxy-5-hydroxyicosa-6,8,11,13-tetraenoate

Description: The molecule is an hydroperoxy(hydroxy)icosatetraenoate that is the conjugate base of (5S)-hydroxy-(15S)-hydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid; major species at pH 7.3. It is a conjugate base of a (5S)-hydroxy-(15S)-hydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid.

SMILES: CCCCC[C@@H](/C=C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)[O-])OO

SELFIES: [C][C][C][C][C][C@@H1][Branch2][Ring1][=Branch1][/C][=C][/C][=C][\C][/C][=C][\C][=C][\C@@H1][Branch1][C][O][C][C][C][C][=Branch1][C][=O][O-1][O][O]

InChI: InChI=1S/C20H32O5/c1-2-3-9-15-19(25-24)16-11-8-6-4-5-7-10-13-18(21)14-12-17-20(22)23/h5-8,10-11,13,16,18-19,21,24H,2-4,9,12,14-15,17H2,1H3,(H,22,23)/p-1/b7-5-,8-6-,13-10+,16-11+/t18-,19+/m1/s1

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: 4.7