lasalocid sodium

Properties Image MNX_ID MNXM1107531 reference chebi:91848 formula C34H53NaO8 global charge 0 mol weight 612.78 InChIKey RDHDUYAKDYQPEW-HWLWSTNVSA-M InChI InChI=1S/C34H54O8.Na/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39;/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39);/q;+1/p-1/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+;/m1./s1 SMILES CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC1=C(C(=O)[O-])C(O)=C(C)C=C1)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C.[Na+] MNX internals InChI (mnx) InChI=1/C34H54O8.Na/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39;/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39);/q;+1/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+;/m1./s1 SMILES (mnx) [CH3:1][CH2:9][C@@H:25]([C:30]([C@@H:22]([CH3:7])[C@H:28]([C@H:19]([CH3:4])[CH2:12][CH2:14][C:24]1=[C:27]([C:32](=[O:38])[OH:39])[C:29]([OH:36])=[C:20]([CH3:5])[CH:13]=[CH:15]1)[OH:35])=[O:37])[C@@H:31]1[C@@H:21]([CH3:6])[CH2:18][C@@:34]([CH2:11][CH3:3])([C@H:26]2[CH2:16][CH2:17][C@@:33]([CH2:10][CH3:2])([OH:40])[C@H:23]([CH3:8])[O:41]2)[O:42]1.[Na+:43]

Parent-child relations graph

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