(5Z,11Z,14Z)-(8S,9S,10R)-10-hydroxy-8,9-epoxyicosa-5,11,14-trienoate

Properties Image MNX_ID MNXM165303 reference metacycM:CPD-15859 formula C20H31O4 global charge -1 mol weight 335.464 InChIKey WWOUHSVXNYZFBQ-OANGEUSWSA-M InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-11-14-17(21)20-18(24-20)15-12-9-10-13-16-19(22)23/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/p-1/b7-6-,12-9-,14-11-/t17-,18+,20+/m1/s1 SMILES CCCCC/C=C\C/C=C\[C@@H](O)[C@@H]1O[C@H]1C/C=C\CCCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C20H32O4/c1-2-3-4-5-6-7-8-11-14-17(21)20-18(24-20)15-12-9-10-13-16-19(22)23/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/b7-6-,12-9-,14-11-/t17-,18+,20+/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:11]=[CH:14]\[C@H:17]([C@H:20]1[C@H:18]([CH2:15]/[CH:12]=[CH:9]\[CH2:10][CH2:13][CH2:16][C:19](=[O:22])[OH:23])[O:24]1)[OH:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0