[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-4-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methyl hydrogen sulfate

Properties Image MNX_ID MNXM1113559 reference chebi:147889 formula C30H53N3O24S global charge 0 mol weight 871.818 InChIKey ZYPOEZCWZXVCQE-VBQQMAJTSA-N InChI InChI=1S/C30H53N3O24S/c1-9(37)31-12(4-34)26(19(41)13(40)7-51-28-17(32-10(2)38)22(44)21(43)16(55-28)8-52-58(48,49)50)56-30-25(47)24(46)27(15(6-36)54-30)57-29-18(33-11(3)39)23(45)20(42)14(5-35)53-29/h12-30,34-36,40-47H,4-8H2,1-3H3,(H,31,37)(H,32,38)(H,33,39)(H,48,49,50)/t12-,13+,14+,15+,16+,17+,18+,19-,20+,21+,22+,23+,24+,25+,26+,27-,28+,29+,30-/m0/s1 SMILES CC(=O)N[C@H]1[C@H](OC[C@@H](O)[C@H](O)[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]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](CO)NC(C)=O)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C30H53N3O24S/c1-9(37)31-12(4-34)26(19(41)13(40)7-51-28-17(32-10(2)38)22(44)21(43)16(55-28)8-52-58(48,49)50)56-30-25(47)24(46)27(15(6-36)54-30)57-29-18(33-11(3)39)23(45)20(42)14(5-35)53-29/h12-30,34-36,40-47H,4-8H2,1-3H3,(H,31,37)(H,32,38)(H,33,39)(H,48,49,50)/t12-,13+,14+,15+,16+,17+,18+,19-,20+,21+,22+,23+,24+,25+,26+,27-,28+,29+,30-/m0/s1 SMILES (mnx) [CH3:1][C:9](=[N:31][C@@H:12]([CH2:4][OH:34])[C@H:26]([C@H:19]([C@@H:13]([CH2:7][O:51][C@H:28]1[C@H:17]([N:32]=[C:10]([CH3:2])[OH:38])[C@@H:22]([OH:44])[C@H:21]([OH:43])[C@@H:16]([CH2:8][O:52][S:58]([OH:48])(=[O:49])=[O:50])[O:55]1)[OH:40])[OH:41])[O:56][C@H:30]1[C@H:25]([OH:47])[C@@H:24]([OH:46])[C@@H:27]([O:57][C@@H:29]2[C@H:18]([N:33]=[C:11]([CH3:3])[OH:39])[C@@H:23]([OH:45])[C@H:20]([OH:42])[C@@H:14]([CH2:5][OH:35])[O:53]2)[C@@H:15]([CH2:6][OH:36])[O:54]1)[OH:37]

Parent-child relations graph

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