(17Z)-1alpha,25-dihydroxy-17,20-didehydro-21-norvitamin D3

Properties Image MNX_ID MNXM30436 reference lipidmapsM:LMST03020036 formula C26H40O3 global charge 0 mol weight 400.603 InChIKey WAQLIOVKGGWXKO-HYSHXFDISA-N InChI InChI=1S/C26H40O3/c1-18-20(16-22(27)17-24(18)28)11-10-19-8-7-15-26(4)21(12-13-23(19)26)9-5-6-14-25(2,3)29/h9-11,22-24,27-29H,1,5-8,12-17H2,2-4H3/b19-10+,20-11-,21-9-/t22-,23+,24+,26-/m1/s1 SMILES C=C1/C(=C\C=C2/CCC[C@]3(C)/C(=C\CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O MNX internals InChI (mnx) InChI=1/C26H40O3/c1-18-20(16-22(27)17-24(18)28)11-10-19-8-7-15-26(4)21(12-13-23(19)26)9-5-6-14-25(2,3)29/h9-11,22-24,27-29H,1,5-8,12-17H2,2-4H3/b19-10+,20-11-,21-9-/t22-,23+,24+,26-/m1/s1 SMILES (mnx) [CH2:1]=[C:18]1/[C:20](=[CH:11]\[CH:10]=[C:19]2/[CH2:8][CH2:7][CH2:15][C@:26]3([CH3:4])/[C:21](=[CH:9]\[CH2:5][CH2:6][CH2:14][C:25]([CH3:2])([CH3:3])[OH:29])[CH2:12][CH2:13][C@@H:23]23)[CH2:16][C@@H:22]([OH:27])[CH2:17][C@@H:24]1[OH:28]

Parent-child relations graph

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