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

Properties Image MNX_ID MNXM1113010 reference chebi:147086 formula C53H88N4O39 global charge 0 mol weight 1405.276 InChIKey QQUJKFJZTMMJGF-SFQDYHOXSA-N InChI InChI=1S/C53H88N4O39/c1-13(64)54-25-17(68)5-53(52(82)83,95-43(25)29(70)18(69)6-58)96-45-33(74)22(10-62)89-51(39(45)80)92-41-27(56-15(3)66)46(81)85-24(34(41)75)12-84-47-26(55-14(2)65)35(76)40(23(11-63)90-47)91-50-38(79)44(32(73)21(9-61)88-50)94-48-28(57-16(4)67)42(31(72)20(8-60)86-48)93-49-37(78)36(77)30(71)19(7-59)87-49/h17-51,58-63,68-81H,5-12H2,1-4H3,(H,54,64)(H,55,65)(H,56,66)(H,57,67)(H,82,83)/t17-,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-,50-,51-,53-/m0/s1 SMILES CC(=O)N[C@H]1[C@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[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]3O)[C@H]2O)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](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C53H88N4O39/c1-13(64)54-25-17(68)5-53(52(82)83,95-43(25)29(70)18(69)6-58)96-45-33(74)22(10-62)89-51(39(45)80)92-41-27(56-15(3)66)46(81)85-24(34(41)75)12-84-47-26(55-14(2)65)35(76)40(23(11-63)90-47)91-50-38(79)44(32(73)21(9-61)88-50)94-48-28(57-16(4)67)42(31(72)20(8-60)86-48)93-49-37(78)36(77)30(71)19(7-59)87-49/h17-51,58-63,68-81H,5-12H2,1-4H3,(H,54,64)(H,55,65)(H,56,66)(H,57,67)(H,82,83)/t17-,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-,50-,51-,53-/m0/s1 SMILES (mnx) [CH3:1][C:13](=[N:54][C@@H:25]1[C@@H:17]([OH:68])[CH2:5][C@@:53]([C:52](=[O:82])[OH:83])([O:96][C@H:45]2[C@@H:33]([OH:74])[C@@H:22]([CH2:10][OH:62])[O:89][C@@H:51]([O:92][C@@H:41]3[C@@H:27]([N:56]=[C:15]([CH3:3])[OH:66])[CH:46]([OH:81])[O:85][C@H:24]([CH2:12][O:84][C@H:47]4[C@H:26]([N:55]=[C:14]([CH3:2])[OH:65])[C@@H:35]([OH:76])[C@H:40]([O:91][C@H:50]5[C@H:38]([OH:79])[C@@H:44]([O:94][C@H:48]6[C@H:28]([N:57]=[C:16]([CH3:4])[OH:67])[C@@H:42]([O:93][C@H:49]7[C@H:37]([OH:78])[C@@H:36]([OH:77])[C@@H:30]([OH:71])[C@@H:19]([CH2:7][OH:59])[O:87]7)[C@H:31]([OH:72])[C@@H:20]([CH2:8][OH:60])[O:86]6)[C@@H:32]([OH:73])[C@@H:21]([CH2:9][OH:61])[O:88]5)[C@@H:23]([CH2:11][OH:63])[O:90]4)[C@@H:34]3[OH:75])[C@@H:39]2[OH:80])[O:95][C@H:43]1[C@@H:29]([C@@H:18]([CH2:6][OH:58])[OH:69])[OH:70])[OH:64]

Parent-child relations graph

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