2beta-methyl-3-epi-1beta,25-dihydroxyvitamin D3

Properties Image MNX_ID MNXM35847 reference lipidmapsM:LMST03020354 formula C28H46O3 global charge 0 mol weight 430.673 InChIKey PSWKLSOBPNHZSY-CPGPASNFSA-N InChI InChI=1S/C28H46O3/c1-18(9-7-15-27(4,5)31)23-13-14-24-21(10-8-16-28(23,24)6)11-12-22-17-25(29)20(3)26(30)19(22)2/h11-12,18,20,23-26,29-31H,2,7-10,13-17H2,1,3-6H3/b21-11+,22-12-/t18-,20-,23-,24+,25+,26+,28-/m1/s1 SMILES C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@H](O)[C@@H](C)[C@H]1O MNX internals InChI (mnx) InChI=1/C28H46O3/c1-18(9-7-15-27(4,5)31)23-13-14-24-21(10-8-16-28(23,24)6)11-12-22-17-25(29)20(3)26(30)19(22)2/h11-12,18,20,23-26,29-31H,2,7-10,13-17H2,1,3-6H3/b21-11+,22-12-/t18-,20-,23-,24+,25+,26+,28-/m1/s1 SMILES (mnx) [CH3:1][C@H:18]([CH2:9][CH2:7][CH2:15][C:27]([CH3:4])([CH3:5])[OH:31])[C@H:23]1[CH2:13][CH2:14][C@H:24]2/[C:21](=[CH:11]/[CH:12]=[C:22]3/[CH2:17][C@H:25]([OH:29])[C@@H:20]([CH3:3])[C@@H:26]([OH:30])[C:19]3=[CH2:2])[CH2:10][CH2:8][CH2:16][C@:28]12[CH3:6]

Parent-child relations graph

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