5,12-dihydroxy-6E-LTB5

Properties Image MNX_ID MNXM166518 reference biggM:CE7084 formula C20H29O4 global charge -1 mol weight 333.448 InChIKey BISQPGCQOHLHQK-TVSPXJJMSA-M InChI InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24)/p-1/b4-3-,8-7-,9-6-,14-10-,15-11-/t18-,19-/m0/s1 SMILES CC/C=C\C/C=C\C[C@H](O)/C=C\C=C/C=C\[C@H](O)CCCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24)/b4-3-,8-7-,9-6-,14-10-,15-11-/t18-,19-/m0/s1 SMILES (mnx) [CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5]/[CH:6]=[CH:9]\[CH2:13][C@@H:18](/[CH:14]=[CH:10]\[CH:7]=[CH:8]/[CH:11]=[CH:15]\[C@@H:19]([CH2:16][CH2:12][CH2:17][C:20](=[O:23])[OH:24])[OH:22])[OH:21]

Parent-child relations graph

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