N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5S,6S)-6-[[(2R,3R,4S,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-3,5-dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Properties Image MNX_ID MNXM1112945 reference chebi:146989 formula C50H86N4O36 global charge 0 mol weight 1319.23 InChIKey QEFKSOPVUJHOPO-HFVUDNQSSA-N InChI InChI=1S/C50H86N4O36/c1-13(61)51-17(5-55)28(66)41(18(65)6-56)87-47-27(54-16(4)64)36(74)42(22(10-60)84-47)88-49-40(78)43(89-48-39(77)37(75)31(69)21(9-59)83-48)33(71)24(85-49)12-80-50-44(90-46-26(53-15(3)63)35(73)30(68)20(8-58)82-46)38(76)32(70)23(86-50)11-79-45-25(52-14(2)62)34(72)29(67)19(7-57)81-45/h17-50,55-60,65-78H,5-12H2,1-4H3,(H,51,61)(H,52,62)(H,53,63)(H,54,64)/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-/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]4NC(C)=O)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O[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/C50H86N4O36/c1-13(61)51-17(5-55)28(66)41(18(65)6-56)87-47-27(54-16(4)64)36(74)42(22(10-60)84-47)88-49-40(78)43(89-48-39(77)37(75)31(69)21(9-59)83-48)33(71)24(85-49)12-80-50-44(90-46-26(53-15(3)63)35(73)30(68)20(8-58)82-46)38(76)32(70)23(86-50)11-79-45-25(52-14(2)62)34(72)29(67)19(7-57)81-45/h17-50,55-60,65-78H,5-12H2,1-4H3,(H,51,61)(H,52,62)(H,53,63)(H,54,64)/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-/m0/s1 SMILES (mnx) [CH3:1][C:13](=[N:51][C@@H:17]([CH2:5][OH:55])[C@H:28]([C@@H:41]([C@@H:18]([CH2:6][OH:56])[OH:65])[O:87][C@H:47]1[C@H:27]([N:54]=[C:16]([CH3:4])[OH:64])[C@@H:36]([OH:74])[C@H:42]([O:88][C@H:49]2[C@@H:40]([OH:78])[C@@H:43]([O:89][C@@H:48]3[C@@H:39]([OH:77])[C@@H:37]([OH:75])[C@H:31]([OH:69])[C@@H:21]([CH2:9][OH:59])[O:83]3)[C@H:33]([OH:71])[C@@H:24]([CH2:12][O:80][C@@H:50]3[C@@H:44]([O:90][C@H:46]4[C@H:26]([N:53]=[C:15]([CH3:3])[OH:63])[C@@H:35]([OH:73])[C@H:30]([OH:68])[C@@H:20]([CH2:8][OH:58])[O:82]4)[C@@H:38]([OH:76])[C@H:32]([OH:70])[C@@H:23]([CH2:11][O:79][C@H:45]4[C@H:25]([N:52]=[C:14]([CH3:2])[OH:62])[C@@H:34]([OH:72])[C@H:29]([OH:67])[C@@H:19]([CH2:7][OH:57])[O:81]4)[O:86]3)[O:85]2)[C@@H:22]([CH2:10][OH:60])[O:84]1)[OH:66])[OH:61]

Parent-child relations graph

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