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

Properties Image MNX_ID MNXM1113261 reference chebi:147499 formula C58H100N2O46 global charge 0 mol weight 1561.406 InChIKey KTKPYIDSLWYQOO-OOQZKHQGSA-N InChI InChI=1S/C58H100N2O46/c1-13(69)59-15(3-61)26(72)45(16(71)4-62)101-51-25(60-14(2)70)34(80)46(22(10-68)98-51)102-56-44(90)48(104-58-50(39(85)31(77)21(9-67)97-58)106-55-42(88)37(83)29(75)19(7-65)95-55)33(79)24(100-56)11-91-52-43(89)47(103-53-40(86)35(81)27(73)17(5-63)93-53)32(78)23(99-52)12-92-57-49(38(84)30(76)20(8-66)96-57)105-54-41(87)36(82)28(74)18(6-64)94-54/h15-58,61-68,71-90H,3-12H2,1-2H3,(H,59,69)(H,60,70)/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-,50-,51-,52-,53+,54+,55+,56-,57-,58+/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]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](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](O)[C@@H]3O)[C@@H]2O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C58H100N2O46/c1-13(69)59-15(3-61)26(72)45(16(71)4-62)101-51-25(60-14(2)70)34(80)46(22(10-68)98-51)102-56-44(90)48(104-58-50(39(85)31(77)21(9-67)97-58)106-55-42(88)37(83)29(75)19(7-65)95-55)33(79)24(100-56)11-91-52-43(89)47(103-53-40(86)35(81)27(73)17(5-63)93-53)32(78)23(99-52)12-92-57-49(38(84)30(76)20(8-66)96-57)105-54-41(87)36(82)28(74)18(6-64)94-54/h15-58,61-68,71-90H,3-12H2,1-2H3,(H,59,69)(H,60,70)/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-,50-,51-,52-,53+,54+,55+,56-,57-,58+/m0/s1 SMILES (mnx) [CH3:1][C:13](=[N:59][C@@H:15]([CH2:3][OH:61])[C@H:26]([C@@H:45]([C@@H:16]([CH2:4][OH:62])[OH:71])[O:101][C@H:51]1[C@H:25]([N:60]=[C:14]([CH3:2])[OH:70])[C@@H:34]([OH:80])[C@H:46]([O:102][C@H:56]2[C@@H:44]([OH:90])[C@@H:48]([O:104][C@@H:58]3[C@@H:50]([O:106][C@@H:55]4[C@@H:42]([OH:88])[C@@H:37]([OH:83])[C@H:29]([OH:75])[C@@H:19]([CH2:7][OH:65])[O:95]4)[C@@H:39]([OH:85])[C@H:31]([OH:77])[C@@H:21]([CH2:9][OH:67])[O:97]3)[C@H:33]([OH:79])[C@@H:24]([CH2:11][O:91][C@@H:52]3[C@@H:43]([OH:89])[C@@H:47]([O:103][C@@H:53]4[C@@H:40]([OH:86])[C@@H:35]([OH:81])[C@H:27]([OH:73])[C@@H:17]([CH2:5][OH:63])[O:93]4)[C@H:32]([OH:78])[C@@H:23]([CH2:12][O:92][C@@H:57]4[C@@H:49]([O:105][C@@H:54]5[C@@H:41]([OH:87])[C@@H:36]([OH:82])[C@H:28]([OH:74])[C@@H:18]([CH2:6][OH:64])[O:94]5)[C@@H:38]([OH:84])[C@H:30]([OH:76])[C@@H:20]([CH2:8][OH:66])[O:96]4)[O:99]3)[O:100]2)[C@@H:22]([CH2:10][OH:68])[O:98]1)[OH:72])[OH:69]

Parent-child relations graph

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