1alpha,25-dihydroxy-11alpha-(2-hydroxyethyl)vitamin D3

Properties Image MNX_ID MNXM33873 reference lipidmapsM:LMST03020433 formula C29H48O4 global charge 0 mol weight 460.699 InChIKey LJEUOLITNBCDAJ-ISTGVGBDSA-N InChI InChI=1S/C29H48O4/c1-19(7-6-13-28(3,4)33)25-10-11-26-23(15-21(12-14-30)18-29(25,26)5)9-8-22-16-24(31)17-27(32)20(22)2/h8-9,19,21,24-27,30-33H,2,6-7,10-18H2,1,3-5H3/b22-8-,23-9+/t19-,21+,24-,25-,26+,27+,29-/m1/s1 SMILES C=C1/C(=C\C=C2/C[C@H](CCO)C[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O MNX internals InChI (mnx) InChI=1/C29H48O4/c1-19(7-6-13-28(3,4)33)25-10-11-26-23(15-21(12-14-30)18-29(25,26)5)9-8-22-16-24(31)17-27(32)20(22)2/h8-9,19,21,24-27,30-33H,2,6-7,10-18H2,1,3-5H3/b22-8-,23-9+/t19-,21+,24-,25-,26+,27+,29-/m1/s1 SMILES (mnx) [CH3:1][C@H:19]([CH2:7][CH2:6][CH2:13][C:28]([CH3:3])([CH3:4])[OH:33])[C@H:25]1[CH2:10][CH2:11][C@H:26]2/[C:23](=[CH:9]/[CH:8]=[C:22]3/[CH2:16][C@@H:24]([OH:31])[CH2:17][C@H:27]([OH:32])[C:20]3=[CH2:2])[CH2:15][C@H:21]([CH2:12][CH2:14][OH:30])[CH2:18][C@:29]12[CH3:5]

Parent-child relations graph

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