1alpha,18-dihydroxyvitamin D3 / 1alpha,18-dihydroxycholecalciferol

Properties Image MNX_ID MNXM33858 reference lipidmapsM:LMST03020254 formula C27H44O3 global charge 0 mol weight 416.646 InChIKey VCIZCIQUIKJJNV-LZKAOUBJSA-N InChI InChI=1S/C27H44O3/c1-18(2)7-5-8-19(3)24-12-13-25-21(9-6-14-27(24,25)17-28)10-11-22-15-23(29)16-26(30)20(22)4/h10-11,18-19,23-26,28-30H,4-9,12-17H2,1-3H3/b21-10+,22-11-/t19-,23-,24-,25+,26+,27+/m1/s1 SMILES C=C1/C(=C\C=C2/CCC[C@]3(CO)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O MNX internals InChI (mnx) InChI=1/C27H44O3/c1-18(2)7-5-8-19(3)24-12-13-25-21(9-6-14-27(24,25)17-28)10-11-22-15-23(29)16-26(30)20(22)4/h10-11,18-19,23-26,28-30H,4-9,12-17H2,1-3H3/b21-10+,22-11-/t19-,23-,24-,25+,26+,27+/m1/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[CH2:7][CH2:5][CH2:8][C@@H:19]([CH3:3])[C@H:24]1[CH2:12][CH2:13][C@H:25]2/[C:21](=[CH:10]/[CH:11]=[C:22]3/[CH2:15][C@@H:23]([OH:29])[CH2:16][C@H:26]([OH:30])[C:20]3=[CH2:4])[CH2:9][CH2:6][CH2:14][C@:27]12[CH2:17][OH:28]

Parent-child relations graph

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