20-OH-10,11-dihydro-leukotriene B4

Properties Image MNX_ID MNXM163164 reference biggM:CE4989 formula C20H33O5 global charge -1 mol weight 353.479 InChIKey XDXPWMISTPZJGX-XMIRPJDESA-M InChI InChI=1S/C20H34O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7,9,14,18-19,21-23H,1-2,6,8,10-13,15-17H2,(H,24,25)/p-1/b5-4+,7-3-,14-9-/t18-,19-/m1/s1 SMILES O=C([O-])CCC[C@H](O)/C=C\C=C\CC[C@H](O)C/C=C\CCCCCO MNX internals InChI (mnx) InChI=1/C20H34O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7,9,14,18-19,21-23H,1-2,6,8,10-13,15-17H2,(H,24,25)/b5-4+,7-3-,14-9-/t18-,19-/m1/s1 SMILES (mnx) [CH2:1]([CH2:2][CH2:6][CH2:10][CH2:17][OH:21])/[CH:3]=[CH:7]\[CH2:12][C@H:18]([CH2:13][CH2:8]/[CH:4]=[CH:5]/[CH:9]=[CH:14]\[C@H:19]([CH2:15][CH2:11][CH2:16][C:20](=[O:24])[OH:25])[OH:23])[OH:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 4