1alpha,25-dihydroxy-10,19-methano-23-oxavitamin D3

Properties Image MNX_ID MNXM33870 reference lipidmapsM:LMST03020285 formula C27H44O4 global charge 0 mol weight 432.645 InChIKey LOSKYZGBNAKNFL-VJBDWGOASA-N InChI InChI=1S/C27H44O4/c1-18(16-31-17-25(2,3)30)22-9-10-23-19(6-5-11-26(22,23)4)7-8-20-14-21(28)15-24(29)27(20)12-13-27/h7-8,18,21-24,28-30H,5-6,9-17H2,1-4H3/b19-7+,20-8-/t18-,21-,22-,23+,24+,26-/m1/s1 SMILES C[C@H](COCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)C[C@H](O)C34CC4)CCC[C@]12C MNX internals InChI (mnx) InChI=1/C27H44O4/c1-18(16-31-17-25(2,3)30)22-9-10-23-19(6-5-11-26(22,23)4)7-8-20-14-21(28)15-24(29)27(20)12-13-27/h7-8,18,21-24,28-30H,5-6,9-17H2,1-4H3/b19-7+,20-8-/t18-,21-,22-,23+,24+,26-/m1/s1 SMILES (mnx) [CH3:1][C@H:18]([CH2:16][O:31][CH2:17][C:25]([CH3:2])([CH3:3])[OH:30])[C@H:22]1[CH2:9][CH2:10][C@H:23]2/[C:19](=[CH:7]/[CH:8]=[C:20]3/[CH2:14][C@@H:21]([OH:28])[CH2:15][C@H:24]([OH:29])[C:27]34[CH2:12][CH2:13]4)[CH2:6][CH2:5][CH2:11][C@:26]12[CH3:4]

Parent-child relations graph

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