pravastatin sodium

Properties Image MNX_ID MNXM160467 reference chebi:8361 formula C23H35NaO7 global charge 0 mol weight 446.516 InChIKey VWBQYTRBTXKKOG-IYNICTALSA-M InChI InChI=1S/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16+,17+,18+,19-,20-,22-;/m0./s1 SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21.[Na+] MNX internals InChI (mnx) InChI=1/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/t13-,14-,16+,17+,18+,19-,20-,22-;/m0./s1 SMILES (mnx) [CH3:1][CH2:4][C@H:13]([CH3:2])[C:23](=[O:29])[O:30][C@H:20]1[CH2:11][C@H:17]([OH:25])[CH:9]=[C:15]2[CH:6]=[CH:5][C@H:14]([CH3:3])[C@H:19]([CH2:8][CH2:7][C@H:16]([CH2:10][C@H:18]([CH2:12][C:21](=[O:27])[OH:28])[OH:26])[OH:24])[C@H:22]21.[Na+:31]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 11 in models (compartimentalized) 13