N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Properties Image MNX_ID MNXM1112685 reference chebi:146634 formula C56H96N4O41 global charge 0 mol weight 1481.371 InChIKey UQQOMCSNCSLDRO-FGJKDOMLSA-N InChI InChI=1S/C56H96N4O41/c1-14(69)57-18(5-61)30(74)44(19(73)6-62)96-51-28(59-16(3)71)36(80)46(25(12-68)93-51)98-55-43(87)48(47(99-50-27(58-15(2)70)35(79)31(75)20(7-63)89-50)26(95-55)13-88-53-41(85)38(82)32(76)21(8-64)90-53)100-56-49(40(84)34(78)23(10-66)92-56)101-52-29(60-17(4)72)37(81)45(24(11-67)94-52)97-54-42(86)39(83)33(77)22(9-65)91-54/h18-56,61-68,73-87H,5-13H2,1-4H3,(H,57,69)(H,58,70)(H,59,71)(H,60,72)/t18-,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-,52-,53-,54-,55-,56+/m0/s1 SMILES CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[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@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C56H96N4O41/c1-14(69)57-18(5-61)30(74)44(19(73)6-62)96-51-28(59-16(3)71)36(80)46(25(12-68)93-51)98-55-43(87)48(47(99-50-27(58-15(2)70)35(79)31(75)20(7-63)89-50)26(95-55)13-88-53-41(85)38(82)32(76)21(8-64)90-53)100-56-49(40(84)34(78)23(10-66)92-56)101-52-29(60-17(4)72)37(81)45(24(11-67)94-52)97-54-42(86)39(83)33(77)22(9-65)91-54/h18-56,61-68,73-87H,5-13H2,1-4H3,(H,57,69)(H,58,70)(H,59,71)(H,60,72)/t18-,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-,52-,53-,54-,55-,56+/m0/s1 SMILES (mnx) [CH3:1][C:14](=[N:57][C@@H:18]([CH2:5][OH:61])[C@H:30]([C@@H:44]([C@@H:19]([CH2:6][OH:62])[OH:73])[O:96][C@H:51]1[C@H:28]([N:59]=[C:16]([CH3:3])[OH:71])[C@@H:36]([OH:80])[C@H:46]([O:98][C@H:55]2[C@@H:43]([OH:87])[C@@H:48]([O:100][C@@H:56]3[C@@H:49]([O:101][C@H:52]4[C@H:29]([N:60]=[C:17]([CH3:4])[OH:72])[C@@H:37]([OH:81])[C@H:45]([O:97][C@H:54]5[C@H:42]([OH:86])[C@@H:39]([OH:83])[C@@H:33]([OH:77])[C@@H:22]([CH2:9][OH:65])[O:91]5)[C@@H:24]([CH2:11][OH:67])[O:94]4)[C@@H:40]([OH:84])[C@H:34]([OH:78])[C@@H:23]([CH2:10][OH:66])[O:92]3)[C@H:47]([O:99][C@H:50]3[C@H:27]([N:58]=[C:15]([CH3:2])[OH:70])[C@@H:35]([OH:79])[C@H:31]([OH:75])[C@@H:20]([CH2:7][OH:63])[O:89]3)[C@@H:26]([CH2:13][O:88][C@@H:53]3[C@@H:41]([OH:85])[C@@H:38]([OH:82])[C@H:32]([OH:76])[C@@H:21]([CH2:8][OH:64])[O:90]3)[O:95]2)[C@@H:25]([CH2:12][OH:68])[O:93]1)[OH:74])[OH:69]

Parent-child relations graph

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