(25S)-1alpha,25,26-trihydroxyvitamin D2

Properties Image MNX_ID MNXM30780 reference lipidmapsM:LMST03010052 formula C28H44O4 global charge 0 mol weight 444.656 InChIKey BXQJQHRLBLTYMC-SYGKCOSYSA-N InChI InChI=1S/C28H44O4/c1-18(8-9-19(2)28(5,32)17-29)24-12-13-25-21(7-6-14-27(24,25)4)10-11-22-15-23(30)16-26(31)20(22)3/h8-11,18-19,23-26,29-32H,3,6-7,12-17H2,1-2,4-5H3/b9-8+,21-10+,22-11-/t18-,19+,23-,24-,25+,26+,27-,28-/m1/s1 SMILES C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)[C@](C)(O)CO)CC[C@@H]23)C[C@@H](O)C[C@@H]1O MNX internals InChI (mnx) InChI=1/C28H44O4/c1-18(8-9-19(2)28(5,32)17-29)24-12-13-25-21(7-6-14-27(24,25)4)10-11-22-15-23(30)16-26(31)20(22)3/h8-11,18-19,23-26,29-32H,3,6-7,12-17H2,1-2,4-5H3/b9-8+,21-10+,22-11-/t18-,19+,23-,24-,25+,26+,27-,28-/m1/s1 SMILES (mnx) [CH3:1][C@H:18](/[CH:8]=[CH:9]/[C@H:19]([CH3:2])[C@@:28]([CH3:5])([CH2:17][OH:29])[OH:32])[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:30])[CH2:16][C@H:26]([OH:31])[C:20]3=[CH2:3])[CH2:7][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