1alpha,25-dihydroxy-24a,24b-dihomo-22-thiavitamin D3

Properties Image MNX_ID MNXM33932 reference lipidmapsM:LMST03020370 formula C28H46O3S global charge 0 mol weight 462.74 InChIKey HZHCMLRUGMBWKV-AHXBDMGHSA-N InChI InChI=1S/C28H46O3S/c1-19-22(17-23(29)18-26(19)30)11-10-21-9-8-15-28(5)24(12-13-25(21)28)20(2)32-16-7-6-14-27(3,4)31/h10-11,20,23-26,29-31H,1,6-9,12-18H2,2-5H3/b21-10+,22-11-/t20-,23+,24+,25-,26-,28+/m0/s1 SMILES C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)SCCCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O MNX internals InChI (mnx) InChI=1/C28H46O3S/c1-19-22(17-23(29)18-26(19)30)11-10-21-9-8-15-28(5)24(12-13-25(21)28)20(2)32-16-7-6-14-27(3,4)31/h10-11,20,23-26,29-31H,1,6-9,12-18H2,2-5H3/b21-10+,22-11-/t20-,23+,24+,25-,26-,28+/m0/s1 SMILES (mnx) [CH2:1]=[C:19]1/[C:22](=[CH:11]\[CH:10]=[C:21]2/[CH2:9][CH2:8][CH2:15][C@:28]3([CH3:5])[C@@H:24]([C@H:20]([CH3:2])[S:32][CH2:16][CH2:7][CH2:6][CH2:14][C:27]([CH3:3])([CH3:4])[OH:31])[CH2:12][CH2:13][C@@H:25]23)[CH2:17][C@@H:23]([OH:29])[CH2:18][C@@H:26]1[OH:30]

Parent-child relations graph

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