(10R)-1alpha,19,25-trihydroxy-10,19-dihydrovitamin D3

Properties Image MNX_ID MNXM30415 reference lipidmapsM:LMST03020598 formula C27H46O4 global charge 0 mol weight 434.661 InChIKey KKAALNBFVRKMCT-FYTDJJPNSA-N InChI InChI=1S/C27H46O4/c1-18(7-5-13-26(2,3)31)23-11-12-24-19(8-6-14-27(23,24)4)9-10-20-15-21(29)16-25(30)22(20)17-28/h9-10,18,21-25,28-31H,5-8,11-17H2,1-4H3/b19-9+,20-10-/t18-,21-,22+,23-,24+,25+,27-/m1/s1 SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)C[C@H](O)[C@H]3CO)CCC[C@]12C MNX internals InChI (mnx) InChI=1/C27H46O4/c1-18(7-5-13-26(2,3)31)23-11-12-24-19(8-6-14-27(23,24)4)9-10-20-15-21(29)16-25(30)22(20)17-28/h9-10,18,21-25,28-31H,5-8,11-17H2,1-4H3/b19-9+,20-10-/t18-,21-,22+,23-,24+,25+,27-/m1/s1 SMILES (mnx) [CH3:1][C@H:18]([CH2:7][CH2:5][CH2:13][C:26]([CH3:2])([CH3:3])[OH:31])[C@H:23]1[CH2:11][CH2:12][C@H:24]2/[C:19](=[CH:9]/[CH:10]=[C:20]3/[CH2:15][C@@H:21]([OH:29])[CH2:16][C@H:25]([OH:30])[C@H:22]3[CH2:17][OH:28])[CH2:8][CH2:6][CH2:14][C@:27]12[CH3:4]

Parent-child relations graph

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