(20S)-1alpha,20,25-trihydroxy-24a,24b-dihomovitamin D3

Properties Image MNX_ID MNXM30570 reference lipidmapsM:LMST03020436 formula C29H48O4 global charge 0 mol weight 460.699 InChIKey DNUPCNSJXRAQEJ-JERFWYNDSA-N InChI InChI=1S/C29H48O4/c1-20-22(18-23(30)19-25(20)31)12-11-21-10-9-16-28(4)24(21)13-14-26(28)29(5,33)17-8-6-7-15-27(2,3)32/h11-12,23-26,30-33H,1,6-10,13-19H2,2-5H3/b21-11+,22-12-/t23-,24+,25+,26+,28+,29+/m1/s1 SMILES C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@](C)(O)CCCCCC(C)(C)O)C[C@@H](O)C[C@@H]1O MNX internals InChI (mnx) InChI=1/C29H48O4/c1-20-22(18-23(30)19-25(20)31)12-11-21-10-9-16-28(4)24(21)13-14-26(28)29(5,33)17-8-6-7-15-27(2,3)32/h11-12,23-26,30-33H,1,6-10,13-19H2,2-5H3/b21-11+,22-12-/t23-,24+,25+,26+,28+,29+/m1/s1 SMILES (mnx) [CH2:1]=[C:20]1/[C:22](=[CH:12]\[CH:11]=[C:21]2/[CH2:10][CH2:9][CH2:16][C@@:28]3([CH3:4])[C@H:24]2[CH2:13][CH2:14][C@@H:26]3[C@:29]([CH3:5])([CH2:17][CH2:8][CH2:6][CH2:7][CH2:15][C:27]([CH3:2])([CH3:3])[OH:32])[OH:33])[CH2:18][C@@H:23]([OH:30])[CH2:19][C@@H:25]1[OH:31]

Parent-child relations graph

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