alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc

Properties Image MNX_ID MNXM102512 reference chebi:68430 formula C42H71N3O30 global charge 0 mol weight 1098.021 InChIKey GZPNTFUPPLIXDP-NVOCNQFRSA-N InChI InChI=1S/C42H71N3O30/c1-10-22(54)29(61)30(62)40(65-10)75-36-35(74-38-20(44-12(3)52)26(58)23(55)14(5-46)67-38)25(57)16(7-48)69-42(36)72-33-18(9-50)70-39(21(28(33)60)45-13(4)53)73-34-24(56)15(6-47)68-41(31(34)63)71-32-17(8-49)66-37(64)19(27(32)59)43-11(2)51/h10,14-42,46-50,54-64H,5-9H2,1-4H3,(H,43,51)(H,44,52)(H,45,53)/t10-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25-,26+,27+,28+,29+,30-,31+,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42-/m0/s1 SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](CO)O[C@H]1O MNX internals InChI (mnx) InChI=1/C42H71N3O30/c1-10-22(54)29(61)30(62)40(65-10)75-36-35(74-38-20(44-12(3)52)26(58)23(55)14(5-46)67-38)25(57)16(7-48)69-42(36)72-33-18(9-50)70-39(21(28(33)60)45-13(4)53)73-34-24(56)15(6-47)68-41(31(34)63)71-32-17(8-49)66-37(64)19(27(32)59)43-11(2)51/h10,14-42,46-50,54-64H,5-9H2,1-4H3,(H,43,51)(H,44,52)(H,45,53)/t10-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25-,26+,27+,28+,29+,30-,31+,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42-/m0/s1 SMILES (mnx) [CH3:1][C@H:10]1[C@@H:22]([OH:54])[C@@H:29]([OH:61])[C@H:30]([OH:62])[C@H:40]([O:75][C@@H:36]2[C@@H:35]([O:74][C@@H:38]3[C@H:20]([N:44]=[C:12]([CH3:3])[OH:52])[C@@H:26]([OH:58])[C@@H:23]([OH:55])[C@@H:14]([CH2:5][OH:46])[O:67]3)[C@@H:25]([OH:57])[C@@H:16]([CH2:7][OH:48])[O:69][C@H:42]2[O:72][C@@H:33]2[C@@H:18]([CH2:9][OH:50])[O:70][C@@H:39]([O:73][C@H:34]3[C@@H:24]([OH:56])[C@@H:15]([CH2:6][OH:47])[O:68][C@@H:41]([O:71][C@@H:32]4[C@@H:17]([CH2:8][OH:49])[O:66][C@@H:37]([OH:64])[C@H:19]([N:43]=[C:11]([CH3:2])[OH:51])[C@H:27]4[OH:59])[C@@H:31]3[OH:63])[C@H:21]([N:45]=[C:13]([CH3:4])[OH:53])[C@H:28]2[OH:60])[O:65]1

Parent-child relations graph

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