24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovitamin D3

Properties Image MNX_ID MNXM35620 reference lipidmapsM:LMST03020093 formula C27H38O3 global charge 0 mol weight 410.598 InChIKey HZMQSDRXOHWULA-QPGHTDHKSA-N InChI InChI=1S/C27H38O3/c1-17(8-13-25-26(3,4)30-25)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-29H,2,6-7,11-12,14-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25?,27-/m1/s1 SMILES C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)C#CC4OC4(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O MNX internals InChI (mnx) InChI=1/C27H38O3/c1-17(8-13-25-26(3,4)30-25)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-29H,2,6-7,11-12,14-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25?,27-/m1/s1 SMILES (mnx) [CH3:1][C@H:17]([C:8]#[C:13][CH:25]1[C:26]([CH3:3])([CH3:4])[O:30]1)[C@H:22]1[CH2:11][CH2:12][C@H:23]2/[C:19](=[CH:9]/[CH:10]=[C:20]3/[CH2:15][C@@H:21]([OH:28])[CH2:16][C@H:24]([OH:29])[C:18]3=[CH2:2])[CH2:7][CH2:6][CH2:14][C@:27]12[CH3:5]

Parent-child relations graph

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