3beta-Hydroxy-5-androsten-16-one

Properties Image MNX_ID MNXM36967 reference chebi:79837 formula C19H28O2 global charge 0 mol weight 288.431 InChIKey IHHKCVMULSSIQO-RHNZQBAGSA-N InChI InChI=1S/C19H28O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h3,13,15-17,20H,4-11H2,1-2H3/t13-,15+,16-,17-,18+,19-/m0/s1 SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=O)C2 MNX internals InChI (mnx) InChI=1/C19H28O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h3,13,15-17,20H,4-11H2,1-2H3/t13-,15+,16-,17-,18+,19-/m0/s1 SMILES (mnx) [CH3:1][C@:18]12[CH2:7][CH2:6][C@H:16]3[C@@H:15]([CH2:4][CH:3]=[C:12]4[CH2:9][C@@H:13]([OH:20])[CH2:5][CH2:8][C@@:19]43[CH3:2])[C@@H:17]1[CH2:10][C:14](=[O:21])[CH2:11]2

Parent-child relations graph

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