25-hydroxy-1alpha-hydroxymethyl-23,23,24,24-tetradehydrovitamin D3

Properties Image MNX_ID MNXM35699 reference lipidmapsM:LMST03020576 formula C28H42O3 global charge 0 mol weight 426.641 InChIKey ORSCSDHDFAIZJY-PNPXQVCKSA-N InChI InChI=1S/C28H42O3/c1-19(8-6-14-27(3,4)31)25-12-13-26-21(9-7-15-28(25,26)5)10-11-22-16-24(30)17-23(18-29)20(22)2/h10-11,19,23-26,29-31H,2,7-9,12-13,15-18H2,1,3-5H3/b21-10+,22-11-/t19-,23-,24-,25-,26+,28-/m1/s1 SMILES C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC#CC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1CO MNX internals InChI (mnx) InChI=1/C28H42O3/c1-19(8-6-14-27(3,4)31)25-12-13-26-21(9-7-15-28(25,26)5)10-11-22-16-24(30)17-23(18-29)20(22)2/h10-11,19,23-26,29-31H,2,7-9,12-13,15-18H2,1,3-5H3/b21-10+,22-11-/t19-,23-,24-,25-,26+,28-/m1/s1 SMILES (mnx) [CH3:1][C@H:19]([CH2:8][C:6]#[C:14][C:27]([CH3:3])([CH3:4])[OH:31])[C@H:25]1[CH2:12][CH2:13][C@H:26]2/[C:21](=[CH:10]/[CH:11]=[C:22]3/[CH2:16][C@@H:24]([OH:30])[CH2:17][C@H:23]([CH2:18][OH:29])[C:20]3=[CH2:2])[CH2:9][CH2:7][CH2:15][C@:28]12[CH3:5]

Parent-child relations graph

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