**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

20beta-dihydroprednisone

Properties Image MNX_ID MNXM1374413 reference chebi:182970 formula C21H28O5 global charge 0 mol weight 360.45 InChIKey UMAIDVARGWSZLM-VDUMFTQRSA-N InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,17-18,22,25-26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,17-,18+,19-,20-,21-/m0/s1 SMILES C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@@H](O)CO MNX internals InChI (mnx) InChI=1/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,17-18,22,25-26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,17-,18+,19-,20-,21-/m0/s1 SMILES (mnx) [CH3:1][C@:19]12[CH:7]=[CH:5][C:13](=[O:23])[CH:9]=[C:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:6][CH2:8][C@@:21]([C@H:17]([CH2:11][OH:22])[OH:25])([OH:26])[C@@:20]3([CH3:2])[CH2:10][C:16](=[O:24])[C@@H:18]12

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
reactome:R-ALL-9757556 CHEBI:182970 chebi:182970 UMAIDVARGWSZLM-VDUMFTQRSA-N	20beta-dihydroprednisone (1R,3aS,3bS,9aR,9bS,11aS)-1-[(1S)-1,2-dihydroxyethyl]-1-hydroxy-9a,11a-dimethyl-2,3,3a,3b,4,5,9a,9b,11,11a-decahydro-1H-cyclopenta[a]phenanthrene-7,10-dione (20S)-17,20,21-trihydroxypregna-1,4-diene-3,11-dione (20S)-hydroxyprednisone 20beta-dihydro-prednisone
vmhM:20adoh_prdns vmhM:20adoh_prdns vmhmetabolite:20adoh_prdns vmhmetabolite:20adoh_prdns UMAIDVARGWSZLM-BNHZJTPYSA-N	20-Alpha Dihydroprednisone
vmhM:20bdoh_prdns vmhM:20bdoh_prdns vmhmetabolite:20bdoh_prdns vmhmetabolite:20bdoh_prdns UMAIDVARGWSZLM-VDUMFTQRSA-N	20-Beta Dihydroprednione
vmhM:M_20adoh_prdns vmhM:M_20bdoh_prdns	secondary/obsolete/fantasy identifier