beta-D-Galp-(1->3)-[alpha-Neup5Ac-(2->6)]-alpha-D-GlcpNAc-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp

Properties Image MNX_ID MNXM103074 reference chebi:68619 formula C37H62N2O29 global charge 0 mol weight 998.888 InChIKey TZCGZHVIEHDVLW-QVBRSFCTSA-N InChI InChI=1S/C37H62N2O29/c1-9(44)38-17-11(46)3-37(36(58)59,68-31(17)19(48)12(47)4-40)60-8-16-21(50)30(67-34-26(55)22(51)20(49)13(5-41)62-34)18(39-10(2)45)33(64-16)65-29-15(7-43)63-35(27(56)24(29)53)66-28-14(6-42)61-32(57)25(54)23(28)52/h11-35,40-43,46-57H,3-8H2,1-2H3,(H,38,44)(H,39,45)(H,58,59)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,37+/m0/s1 SMILES CC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C37H62N2O29/c1-9(44)38-17-11(46)3-37(36(58)59,68-31(17)19(48)12(47)4-40)60-8-16-21(50)30(67-34-26(55)22(51)20(49)13(5-41)62-34)18(39-10(2)45)33(64-16)65-29-15(7-43)63-35(27(56)24(29)53)66-28-14(6-42)61-32(57)25(54)23(28)52/h11-35,40-43,46-57H,3-8H2,1-2H3,(H,38,44)(H,39,45)(H,58,59)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,37+/m0/s1 SMILES (mnx) [CH3:1][C:9](=[N:38][C@@H:17]1[C@@H:11]([OH:46])[CH2:3][C@@:37]([C:36](=[O:58])[OH:59])([O:60][CH2:8][C@@H:16]2[C@@H:21]([OH:50])[C@H:30]([O:67][C@H:34]3[C@H:26]([OH:55])[C@@H:22]([OH:51])[C@@H:20]([OH:49])[C@@H:13]([CH2:5][OH:41])[O:62]3)[C@@H:18]([N:39]=[C:10]([CH3:2])[OH:45])[C@H:33]([O:65][C@H:29]3[C@@H:15]([CH2:7][OH:43])[O:63][C@@H:35]([O:66][C@@H:28]4[C@@H:14]([CH2:6][OH:42])[O:61][C@@H:32]([OH:57])[C@H:25]([OH:54])[C@H:23]4[OH:52])[C@H:27]([OH:56])[C@H:24]3[OH:53])[O:64]2)[O:68][C@H:31]1[C@@H:19]([C@@H:12]([CH2:4][OH:40])[OH:47])[OH:48])[OH:44]

Parent-child relations graph

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