1-methyl-1,25-dihydroxy-4-nor-2,3-secovitamin D3

Properties Image MNX_ID MNXM32842 reference lipidmapsM:LMST03020309 formula C27H46O3 global charge 0 mol weight 418.662 InChIKey LLNHTUSARYKCRM-OCKWTXSCSA-N InChI InChI=1S/C27H46O3/c1-19(10-8-16-25(3,4)29)23-14-15-24-21(11-9-17-27(23,24)7)12-13-22(18-28)20(2)26(5,6)30/h12-13,19,23-24,28-30H,2,8-11,14-18H2,1,3-7H3/b21-12+,22-13-/t19-,23-,24+,27-/m1/s1 SMILES C=C(/C(=C\C=C1/CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]12)CO)C(C)(C)O MNX internals InChI (mnx) InChI=1/C27H46O3/c1-19(10-8-16-25(3,4)29)23-14-15-24-21(11-9-17-27(23,24)7)12-13-22(18-28)20(2)26(5,6)30/h12-13,19,23-24,28-30H,2,8-11,14-18H2,1,3-7H3/b21-12+,22-13-/t19-,23-,24+,27-/m1/s1 SMILES (mnx) [CH3:1][C@H:19]([CH2:10][CH2:8][CH2:16][C:25]([CH3:3])([CH3:4])[OH:29])[C@H:23]1[CH2:14][CH2:15][C@H:24]2/[C:21](=[CH:12]/[CH:13]=[C:22](/[CH2:18][OH:28])[C:20](=[CH2:2])[C:26]([CH3:5])([CH3:6])[OH:30])[CH2:11][CH2:9][CH2:17][C@:27]12[CH3:7]

Parent-child relations graph

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