13,14-dihydro-15-oxo-lipoxin A4

Properties Image MNX_ID MNXM734282 reference biggM:CE5662 formula C20H31O5 global charge -1 mol weight 351.463 InChIKey FPRPRBFSKMFXRV-HJGGDGFVSA-M InChI InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,10,14,18-19,22-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/p-1/b6-4-,7-5+,14-10+/t18-,19-/m1/s1 SMILES CCCCCC(=O)CC/C=C\C=C\C=C\[C@@H](O)[C@H](O)CCCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,10,14,18-19,22-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,14-10+/t18-,19-/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:8][CH2:12][C:17]([CH2:13][CH2:9]/[CH:6]=[CH:4]\[CH:5]=[CH:7]\[CH:10]=[CH:14]\[C@H:18]([C@@H:19]([CH2:15][CH2:11][CH2:16][C:20](=[O:24])[OH:25])[OH:23])[OH:22])=[O:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 1