1alpha,11alpha,25-trihydroxyvitamin D3 / 1alpha,11alpha,25-trihydroxycholecalciferol

Properties Image MNX_ID MNXM33854 reference lipidmapsM:LMST03020287 formula C27H44O4 global charge 0 mol weight 432.645 InChIKey UZTZPZGEOANDJC-LJMJVLGYSA-N InChI InChI=1S/C27H44O4/c1-17(7-6-12-26(3,4)31)23-10-11-24-20(14-22(29)16-27(23,24)5)9-8-19-13-21(28)15-25(30)18(19)2/h8-9,17,21-25,28-31H,2,6-7,10-16H2,1,3-5H3/b19-8-,20-9+/t17-,21-,22+,23-,24+,25+,27-/m1/s1 SMILES C=C1/C(=C\C=C2/C[C@H](O)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/C27H44O4/c1-17(7-6-12-26(3,4)31)23-10-11-24-20(14-22(29)16-27(23,24)5)9-8-19-13-21(28)15-25(30)18(19)2/h8-9,17,21-25,28-31H,2,6-7,10-16H2,1,3-5H3/b19-8-,20-9+/t17-,21-,22+,23-,24+,25+,27-/m1/s1 SMILES (mnx) [CH3:1][C@H:17]([CH2:7][CH2:6][CH2:12][C:26]([CH3:3])([CH3:4])[OH:31])[C@H:23]1[CH2:10][CH2:11][C@H:24]2/[C:20](=[CH:9]/[CH:8]=[C:19]3/[CH2:13][C@@H:21]([OH:28])[CH2:15][C@H:25]([OH:30])[C:18]3=[CH2:2])[CH2:14][C@H:22]([OH:29])[CH2:16][C@:27]12[CH3:5]

Parent-child relations graph

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