1alpha,25-dihydroxy-24a,24b,24c-trihomo-22-thia-20-epivitamin D3

Properties Image MNX_ID MNXM33925 reference lipidmapsM:LMST03020426 formula C29H48O3S global charge 0 mol weight 476.767 InChIKey WYCQGEUSAIKRHH-GEJQTTJQSA-N InChI InChI=1S/C29H48O3S/c1-20-23(18-24(30)19-27(20)31)12-11-22-10-9-16-29(5)25(13-14-26(22)29)21(2)33-17-8-6-7-15-28(3,4)32/h11-12,21,24-27,30-32H,1,6-10,13-19H2,2-5H3/b22-11+,23-12-/t21-,24-,25-,26+,27+,29-/m1/s1 SMILES C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@@H](C)SCCCCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O MNX internals InChI (mnx) InChI=1/C29H48O3S/c1-20-23(18-24(30)19-27(20)31)12-11-22-10-9-16-29(5)25(13-14-26(22)29)21(2)33-17-8-6-7-15-28(3,4)32/h11-12,21,24-27,30-32H,1,6-10,13-19H2,2-5H3/b22-11+,23-12-/t21-,24-,25-,26+,27+,29-/m1/s1 SMILES (mnx) [CH2:1]=[C:20]1/[C:23](=[CH:12]\[CH:11]=[C:22]2/[CH2:10][CH2:9][CH2:16][C@:29]3([CH3:5])[C@@H:25]([C@@H:21]([CH3:2])[S:33][CH2:17][CH2:8][CH2:6][CH2:7][CH2:15][C:28]([CH3:3])([CH3:4])[OH:32])[CH2:13][CH2:14][C@@H:26]23)[CH2:18][C@@H:24]([OH:30])[CH2:19][C@@H:27]1[OH:31]

Parent-child relations graph

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