alpha-D-Rhap4NFo-(1->2)-alpha-D-Rhap4NFo-(1->3)-alpha-D-Rhap4NFo-(1->2)-alpha-D-Rhap4NFoO[CH2]5C(O)NH2CH2CH2NH2-3,4-dioxocyclobutylaminomethyl group

Properties Image MNX_ID MNXM152031 reference chebi:84689 formula C41H66N7O20* global charge 0 mol weight   InChIKey   InChI   SMILES [*]CNC1C(=O)C(=O)C1NCCNC(=O)CCCCCO[C@H]1O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]1O[C@H]1O[C@H](C)[C@@H](NC=O)[C@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C42H69N7O20/c1-6-43-27-28(31(57)30(27)56)45-12-11-44-22(54)10-8-7-9-13-62-41-37(32(58)24(47-15-51)19(3)65-41)68-40-35(61)36(26(49-17-53)21(5)64-40)67-42-38(33(59)25(48-16-52)20(4)66-42)69-39-34(60)29(55)23(46-14-50)18(2)63-39/h14-21,23-29,32-43,45,55,58-61H,6-13H2,1-5H3,(H,44,54)(H,46,50)(H,47,51)(H,48,52)(H,49,53)/t18-,19-,20-,21-,23-,24-,25-,26-,27?,28?,29+,32+,33+,34+,35+,36+,37+,38+,39-,40-,41+,42-/m1/s1/i1+1 SMILES (mnx) [13CH3:1][CH2:6][NH:43][CH:27]1[CH:28]([NH:45][CH2:12][CH2:11][N:44]=[C:22]([CH2:10][CH2:8][CH2:7][CH2:9][CH2:13][O:62][C@@H:41]2[C@@H:37]([O:68][C@@H:40]3[C@@H:35]([OH:61])[C@@H:36]([O:67][C@@H:42]4[C@@H:38]([O:69][C@@H:39]5[C@@H:34]([OH:60])[C@@H:29]([OH:55])[C@H:23]([N:46]=[CH:14][OH:50])[C@@H:18]([CH3:2])[O:63]5)[C@@H:33]([OH:59])[C@H:25]([N:48]=[CH:16][OH:52])[C@@H:20]([CH3:4])[O:66]4)[C@H:26]([N:49]=[CH:17][OH:53])[C@@H:21]([CH3:5])[O:64]3)[C@@H:32]([OH:58])[C@H:24]([N:47]=[CH:15][OH:51])[C@@H:19]([CH3:3])[O:65]2)[OH:54])[C:31](=[O:57])[C:30]1=[O:56]

Parent-child relations graph

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