Leukotriene D5

Properties Image MNX_ID MNXM59985 reference chebi:175815 formula C25H38N2O6S global charge 0 mol weight 494.654 InChIKey RWLDHKGRPLNPBN-DSJHTHEWSA-N InChI InChI=1S/C25H38N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h3-4,6-7,9-13,16,20-22,28H,2,5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b4-3-,7-6-,10-9-,12-11+,16-13+/t20-,21+,22-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\C=C\C=C\[C@H](SC[C@H](N)C(=O)NCC(=O)O)[C@H](O)CCCC(=O)O MNX internals InChI (mnx) InChI=1/C25H38N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h3-4,6-7,9-13,16,20-22,28H,2,5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b4-3-,7-6-,10-9-,12-11+,16-13+/t20-,21+,22-/m0/s1 SMILES (mnx) [CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH:11]=[CH:12]\[CH:13]=[CH:16]\[C@@H:22]([C@@H:21]([CH2:15][CH2:14][CH2:17][C:23](=[O:29])[OH:30])[OH:28])[S:34][CH2:19][C@@H:20]([C:25](=[N:27][CH2:18][C:24](=[O:31])[OH:32])[OH:33])[NH2:26]

Parent-child relations graph

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