(5E)-(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3

Properties Image MNX_ID MNXM31258 reference lipidmapsM:LMST03020018 formula C23H36O2 global charge 0 mol weight 344.539 InChIKey HPIRTWXNAZXKAX-VVOWECSZSA-N InChI InChI=1S/C23H36O2/c1-15-7-10-20(25)14-19(15)9-8-18-6-5-13-23(4)21(11-12-22(18)23)16(2)17(3)24/h8-9,16-17,20-22,24-25H,1,5-7,10-14H2,2-4H3/b18-8+,19-9+/t16-,17+,20+,21-,22+,23-/m1/s1 SMILES C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]([C@H](C)[C@H](C)O)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C23H36O2/c1-15-7-10-20(25)14-19(15)9-8-18-6-5-13-23(4)21(11-12-22(18)23)16(2)17(3)24/h8-9,16-17,20-22,24-25H,1,5-7,10-14H2,2-4H3/b18-8+,19-9+/t16-,17+,20+,21-,22+,23-/m1/s1 SMILES (mnx) [CH2:1]=[C:15]1[CH2:7][CH2:10][C@H:20]([OH:25])[CH2:14]/[C:19]1=[CH:9]\[CH:8]=[C:18]1/[CH2:6][CH2:5][CH2:13][C@:23]2([CH3:4])[C@@H:21]([C@H:16]([CH3:2])[C@H:17]([CH3:3])[OH:24])[CH2:11][CH2:12][C@@H:22]12

Parent-child relations graph

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