20-COOH-leukotriene E4

Properties Image MNX_ID MNXM734697 reference biggM:CE5995 formula C23H33NO7S global charge -2 mol weight 467.584 InChIKey HVLRBLGTGJGVCX-RHSCJZQUSA-L InChI InChI=1S/C23H35NO7S/c24-18(23(30)31)17-32-20(19(25)13-12-16-22(28)29)14-10-8-6-4-2-1-3-5-7-9-11-15-21(26)27/h2-6,8,10,14,18-20,25H,1,7,9,11-13,15-17,24H2,(H,26,27)(H,28,29)(H,30,31)/p-2/b4-2-,5-3-,8-6+,14-10+/t18-,19+,20-/m1/s1 SMILES [NH3+][C@H](CS[C@H](/C=C/C=C/C=C\C/C=C\CCCCC(=O)[O-])[C@@H](O)CCCC(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C23H35NO7S/c24-18(23(30)31)17-32-20(19(25)13-12-16-22(28)29)14-10-8-6-4-2-1-3-5-7-9-11-15-21(26)27/h2-6,8,10,14,18-20,25H,1,7,9,11-13,15-17,24H2,(H,26,27)(H,28,29)(H,30,31)/b4-2-,5-3-,8-6+,14-10+/t18-,19+,20-/m1/s1 SMILES (mnx) [CH2:1](/[CH:2]=[CH:4]\[CH:6]=[CH:8]\[CH:10]=[CH:14]\[C@H:20]([C@H:19]([CH2:13][CH2:12][CH2:16][C:22](=[O:28])[OH:29])[OH:25])[S:32][CH2:17][C@H:18]([C:23](=[O:30])[OH:31])[NH2:24])/[CH:3]=[CH:5]\[CH2:7][CH2:9][CH2:11][CH2:15][C:21](=[O:26])[OH:27]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 2