1,25-dihydroxy-2-nor-1,2-secovitamin D3

Properties Image MNX_ID MNXM32210 reference lipidmapsM:LMST03020075 formula C26H44O3 global charge 0 mol weight 404.635 InChIKey PDCWVQZLMVLGLG-SDPFTLJPSA-N InChI InChI=1S/C26H44O3/c1-19(8-6-15-25(3,4)29)23-12-13-24-22(9-7-16-26(23,24)5)11-10-21(14-17-27)20(2)18-28/h10-11,19,23-24,27-29H,2,6-9,12-18H2,1,3-5H3/b21-10-,22-11+/t19-,23-,24+,26-/m1/s1 SMILES C=C(CO)/C(=C\C=C1/CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]12)CCO MNX internals InChI (mnx) InChI=1/C26H44O3/c1-19(8-6-15-25(3,4)29)23-12-13-24-22(9-7-16-26(23,24)5)11-10-21(14-17-27)20(2)18-28/h10-11,19,23-24,27-29H,2,6-9,12-18H2,1,3-5H3/b21-10-,22-11+/t19-,23-,24+,26-/m1/s1 SMILES (mnx) [CH3:1][C@H:19]([CH2:8][CH2:6][CH2:15][C:25]([CH3:3])([CH3:4])[OH:29])[C@H:23]1[CH2:12][CH2:13][C@H:24]2/[C:22](=[CH:11]/[CH:10]=[C:21](/[CH2:14][CH2:17][OH:27])[C:20](=[CH2:2])[CH2:18][OH:28])[CH2:9][CH2:7][CH2:16][C@:26]12[CH3:5]

Parent-child relations graph

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