11alpha-ethynyl-1alpha,25-dihydroxyvitamin D3 / 11alpha-ethynyl-1alpha,25-dihydroxycholecalciferol

Properties Image Occurences in reactions MNX_ID MNXM33174 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C29H44O3 charge 0 mass 440.32905 reference lipidmapsM:LMST03020394 InChIKey LMGSSQQCVWGJKN-AOFGDPGASA-N InChI InChI=1S/C29H44O3/c1-7-21-15-23(11-10-22-16-24(30)17-27(31)20(22)3)26-13-12-25(29(26,6)18-21)19(2)9-8-14-28(4,5)32/h1,10-11,19,21,24-27,30-32H,3,8-9,12-18H2,2,4-6H3/b22-10-,23-11+/t19-,21+,24-,25-,26+,27+,29-/m1/s1 SMILES C#C[C@H]1C/C(=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)[C@@H]2CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]2(C)C1

Parent-child relations graph

Deprecated MNXref IDs graph