1alpha,25-dihydroxy-2-methylene-19-norvitamin D3

Properties Image MNX_ID MNXM33899 reference lipidmapsM:LMST03020552 formula C27H44O3 global charge 0 mol weight 416.646 InChIKey UHMPCVGLSKFXHR-JUTHDLPNSA-N InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b21-11+/t18-,22-,23+,24-,25-,27-/m1/s1 SMILES C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@H]1O MNX internals InChI (mnx) InChI=1/C27H44O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b21-11+/t18-,22-,23+,24-,25-,27-/m1/s1 SMILES (mnx) [CH3:1][C@H:18]([CH2:8][CH2:6][CH2:14][C:26]([CH3:3])([CH3:4])[OH:30])[C@H:22]1[CH2:12][CH2:13][C@H:23]2/[C:21](=[CH:11]/[CH:10]=[C:20]3\[CH2:16][C@@H:24]([OH:28])[C:19](=[CH2:2])[C@H:25]([OH:29])[CH2:17]3)[CH2:9][CH2:7][CH2:15][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