20-oxo-leukotriene E4

Properties Image MNX_ID MNXM1371596 reference biggM:CE5994 formula C23H34NO6S global charge -1 mol weight 452.593 InChIKey DXFWBOQUFGDWDP-HEZGWBLQSA-M InChI InChI=1S/C23H35NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,17,19-21,26H,1,6,8,10,12-14,16,18,24H2,(H,27,28)(H,29,30)/p-1/b4-2-,5-3-,9-7+,15-11+/t19-,20+,21-/m1/s1 SMILES [NH3+][C@H](CS[C@H](/C=C/C=C/C=C\C/C=C\CCCCC=O)[C@@H](O)CCCC(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C23H35NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,17,19-21,26H,1,6,8,10,12-14,16,18,24H2,(H,27,28)(H,29,30)/b4-2-,5-3-,9-7+,15-11+/t19-,20+,21-/m1/s1 SMILES (mnx) [CH2:1](/[CH:2]=[CH:4]\[CH2:6][CH2:8][CH2:10][CH2:12][CH:17]=[O:25])/[CH:3]=[CH:5]\[CH:7]=[CH:9]\[CH:11]=[CH:15]\[C@H:21]([C@H:20]([CH2:14][CH2:13][CH2:16][C:22](=[O:27])[OH:28])[OH:26])[S:31][CH2:18][C@H:19]([C:23](=[O:29])[OH:30])[NH2:24]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 2