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

Properties Image MNX_ID MNXM1113075 reference chebi:147166 formula C51H85N3O39 global charge 0 mol weight 1364.223 InChIKey BYBVAJYPJIIHHJ-GKEWZSOYSA-N InChI InChI=1S/C51H85N3O39/c1-12(62)52-23-15(65)4-51(50(79)80,92-41(23)26(67)16(66)5-55)93-43-31(72)27(68)17(6-56)83-49(43)90-38-21(10-60)85-46(25(30(38)71)54-14(3)64)91-42-28(69)18(7-57)82-48(36(42)77)88-37-20(9-59)84-45(24(29(37)70)53-13(2)63)87-40-22(11-61)86-47(35(76)33(40)74)89-39-19(8-58)81-44(78)34(75)32(39)73/h15-49,55-61,65-78H,4-11H2,1-3H3,(H,52,62)(H,53,63)(H,54,64)(H,79,80)/t15-,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-,43+,44+,45-,46-,47-,48-,49-,51-/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@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]4O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C51H85N3O39/c1-12(62)52-23-15(65)4-51(50(79)80,92-41(23)26(67)16(66)5-55)93-43-31(72)27(68)17(6-56)83-49(43)90-38-21(10-60)85-46(25(30(38)71)54-14(3)64)91-42-28(69)18(7-57)82-48(36(42)77)88-37-20(9-59)84-45(24(29(37)70)53-13(2)63)87-40-22(11-61)86-47(35(76)33(40)74)89-39-19(8-58)81-44(78)34(75)32(39)73/h15-49,55-61,65-78H,4-11H2,1-3H3,(H,52,62)(H,53,63)(H,54,64)(H,79,80)/t15-,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-,43+,44+,45-,46-,47-,48-,49-,51-/m0/s1 SMILES (mnx) [CH3:1][C:12](=[N:52][C@@H:23]1[C@@H:15]([OH:65])[CH2:4][C@@:51]([C:50](=[O:79])[OH:80])([O:93][C@@H:43]2[C@@H:31]([OH:72])[C@@H:27]([OH:68])[C@@H:17]([CH2:6][OH:56])[O:83][C@H:49]2[O:90][C@@H:38]2[C@@H:21]([CH2:10][OH:60])[O:85][C@@H:46]([O:91][C@H:42]3[C@@H:28]([OH:69])[C@@H:18]([CH2:7][OH:57])[O:82][C@@H:48]([O:88][C@H:37]4[C@@H:20]([CH2:9][OH:59])[O:84][C@@H:45]([O:87][C@H:40]5[C@@H:22]([CH2:11][OH:61])[O:86][C@@H:47]([O:89][C@@H:39]6[C@@H:19]([CH2:8][OH:58])[O:81][C@@H:44]([OH:78])[C@H:34]([OH:75])[C@H:32]6[OH:73])[C@H:35]([OH:76])[C@H:33]5[OH:74])[C@H:24]([N:53]=[C:13]([CH3:2])[OH:63])[C@H:29]4[OH:70])[C@@H:36]3[OH:77])[C@H:25]([N:54]=[C:14]([CH3:3])[OH:64])[C@H:30]2[OH:71])[O:92][C@H:41]1[C@@H:26]([C@@H:16]([CH2:5][OH:55])[OH:66])[OH:67])[OH:62]

Parent-child relations graph

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