5-epi-5-iso-LGD2

Properties Image MNX_ID MNXM38110 reference lipidmapsM:LMFA03100033 formula C20H32O5 global charge 0 mol weight 352.471 InChIKey HFMAGYDCADKGBI-GJXUSZJUSA-N InChI InChI=1S/C20H32O5/c1-3-4-5-6-7-8-11-19(16(2)22)17(15-21)13-14-18(23)10-9-12-20(24)25/h7-8,13-15,17-19,23H,3-6,9-12H2,1-2H3,(H,24,25)/b8-7-,14-13+/t17-,18-,19+/m1/s1 SMILES CCCCC/C=C\C[C@@H](C(C)=O)[C@@H](C=O)/C=C/[C@H](O)CCCC(=O)O MNX internals InChI (mnx) InChI=1/C20H32O5/c1-3-4-5-6-7-8-11-19(16(2)22)17(15-21)13-14-18(23)10-9-12-20(24)25/h7-8,13-15,17-19,23H,3-6,9-12H2,1-2H3,(H,24,25)/b8-7-,14-13+/t17-,18-,19+/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:11][C@@H:19]([C:16]([CH3:2])=[O:22])[C@H:17](/[CH:13]=[CH:14]/[C@@H:18]([CH2:10][CH2:9][CH2:12][C:20](=[O:24])[OH:25])[OH:23])[CH:15]=[O:21]

Parent-child relations graph

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