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

Tetrahydrocortisone sulfate

Properties Image MNX_ID MNXM1593762 reference vmhM:cortsn_th_sulft vmhM:cortsn_th_sulft formula C21H31O8S global charge -1 mol weight 443.538 InChIKey SYQSVHBEBSEGDB-ZIZPXRJBSA-M InChI InChI=1S/C21H32O8S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h12-15,18,22,25H,3-11H2,1-2H3,(H,26,27,28)/p-1/t12-,13-,14+,15+,18-,19+,20+,21+/m1/s1 SMILES C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COS(=O)(=O)[O-] MNX internals InChI (mnx) InChI=1/C21H32O8S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h12-15,18,22,25H,3-11H2,1-2H3,(H,26,27,28)/t12-,13-,14+,15+,18-,19+,20+,21+/m1/s1 SMILES (mnx) [CH3:1][C@:19]12[CH2:7][CH2:5][C@@H:13]([OH:22])[CH2:9][C@H:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:6][CH2:8][C@@:21]([C:17]([CH2:11][O:29][S:30](=[O:26])(=[O:27])[OH:28])=[O:24])([OH:25])[C@@:20]3([CH3:2])[CH2:10][C:16](=[O:23])[C@@H:18]12

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
vmhM:cortsn_th_sulft vmhM:cortsn_th_sulft vmhmetabolite:cortsn_th_sulft vmhmetabolite:cortsn_th_sulft SYQSVHBEBSEGDB-ZIZPXRJBSA-M	Tetrahydrocortisone sulfate
vmhM:M_cortsn_th_sulft	secondary/obsolete/fantasy identifier