(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-4-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Properties Image MNX_ID MNXM1112817 reference chebi:146811 formula C39H65N3O29 global charge 0 mol weight 1039.941 InChIKey OCVLAPJLPHREJN-CNEGZORQSA-N InChI InChI=1S/C39H65N3O29/c1-10(47)40-19-13(50)4-39(38(61)62,71-32(19)22(52)14(51)5-43)63-9-18-25(55)31(21(34(60)64-18)42-12(3)49)69-36-28(58)27(57)30(17(8-46)67-36)68-37-29(59)33(24(54)16(7-45)66-37)70-35-20(41-11(2)48)26(56)23(53)15(6-44)65-35/h13-37,43-46,50-60H,4-9H2,1-3H3,(H,40,47)(H,41,48)(H,42,49)(H,61,62)/t13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25-,26+,27+,28+,29+,30-,31+,32+,33-,34-,35-,36-,37-,39+/m0/s1 SMILES CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](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)O[C@@H]1O MNX internals InChI (mnx) InChI=1/C39H65N3O29/c1-10(47)40-19-13(50)4-39(38(61)62,71-32(19)22(52)14(51)5-43)63-9-18-25(55)31(21(34(60)64-18)42-12(3)49)69-36-28(58)27(57)30(17(8-46)67-36)68-37-29(59)33(24(54)16(7-45)66-37)70-35-20(41-11(2)48)26(56)23(53)15(6-44)65-35/h13-37,43-46,50-60H,4-9H2,1-3H3,(H,40,47)(H,41,48)(H,42,49)(H,61,62)/t13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25-,26+,27+,28+,29+,30-,31+,32+,33-,34-,35-,36-,37-,39+/m0/s1 SMILES (mnx) [CH3:1][C:10](=[N:40][C@@H:19]1[C@@H:13]([OH:50])[CH2:4][C@@:39]([C:38](=[O:61])[OH:62])([O:63][CH2:9][C@@H:18]2[C@H:25]([OH:55])[C@H:31]([O:69][C@H:36]3[C@H:28]([OH:58])[C@@H:27]([OH:57])[C@@H:30]([O:68][C@H:37]4[C@H:29]([OH:59])[C@@H:33]([O:70][C@H:35]5[C@H:20]([N:41]=[C:11]([CH3:2])[OH:48])[C@@H:26]([OH:56])[C@@H:23]([OH:53])[C@@H:15]([CH2:6][OH:44])[O:65]5)[C@@H:24]([OH:54])[C@@H:16]([CH2:7][OH:45])[O:66]4)[C@@H:17]([CH2:8][OH:46])[O:67]3)[C@@H:21]([N:42]=[C:12]([CH3:3])[OH:49])[C@@H:34]([OH:60])[O:64]2)[O:71][C@H:32]1[C@@H:22]([C@@H:14]([CH2:5][OH:43])[OH:51])[OH:52])[OH:47]

Parent-child relations graph

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