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-2,4,6-trihydroxy-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-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-3,5-dihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Properties Image MNX_ID MNXM1113321 reference chebi:147573 formula C68H116N4O50 global charge 0 mol weight 1789.654 InChIKey OZXHHPDSQHFWPI-SRLMPOEYSA-N InChI InChI=1S/C68H116N4O50/c1-16-34(85)44(95)49(100)63(108-16)105-13-22(84)54(35(86)21(6-73)69-17(2)80)117-61-32(71-19(4)82)42(93)57(28(12-79)113-61)120-67-53(104)58(121-68-59(48(99)38(89)25(9-76)111-68)122-62-33(72-20(5)83)43(94)56(27(11-78)114-62)119-66-52(103)46(97)37(88)24(8-75)110-66)40(91)30(116-67)15-107-64-50(101)47(98)39(90)29(115-64)14-106-60-31(70-18(3)81)41(92)55(26(10-77)112-60)118-65-51(102)45(96)36(87)23(7-74)109-65/h16,21-68,73-79,84-104H,6-15H2,1-5H3,(H,69,80)(H,70,81)(H,71,82)(H,72,83)/t16-,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-,59-,60+,61-,62-,63+,64-,65-,66-,67-,68+/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[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O)[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]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/C68H116N4O50/c1-16-34(85)44(95)49(100)63(108-16)105-13-22(84)54(35(86)21(6-73)69-17(2)80)117-61-32(71-19(4)82)42(93)57(28(12-79)113-61)120-67-53(104)58(121-68-59(48(99)38(89)25(9-76)111-68)122-62-33(72-20(5)83)43(94)56(27(11-78)114-62)119-66-52(103)46(97)37(88)24(8-75)110-66)40(91)30(116-67)15-107-64-50(101)47(98)39(90)29(115-64)14-106-60-31(70-18(3)81)41(92)55(26(10-77)112-60)118-65-51(102)45(96)36(87)23(7-74)109-65/h16,21-68,73-79,84-104H,6-15H2,1-5H3,(H,69,80)(H,70,81)(H,71,82)(H,72,83)/t16-,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-,59-,60+,61-,62-,63+,64-,65-,66-,67-,68+/m0/s1 SMILES (mnx) [CH3:1][C@H:16]1[C@@H:34]([OH:85])[C@@H:44]([OH:95])[C@H:49]([OH:100])[C@H:63]([O:105][CH2:13][C@H:22]([C@H:54]([C@@H:35]([C@H:21]([CH2:6][OH:73])[N:69]=[C:17]([CH3:2])[OH:80])[OH:86])[O:117][C@H:61]2[C@H:32]([N:71]=[C:19]([CH3:4])[OH:82])[C@@H:42]([OH:93])[C@H:57]([O:120][C@H:67]3[C@@H:53]([OH:104])[C@@H:58]([O:121][C@@H:68]4[C@@H:59]([O:122][C@H:62]5[C@H:33]([N:72]=[C:20]([CH3:5])[OH:83])[C@@H:43]([OH:94])[C@H:56]([O:119][C@H:66]6[C@H:52]([OH:103])[C@@H:46]([OH:97])[C@@H:37]([OH:88])[C@@H:24]([CH2:8][OH:75])[O:110]6)[C@@H:27]([CH2:11][OH:78])[O:114]5)[C@@H:48]([OH:99])[C@H:38]([OH:89])[C@@H:25]([CH2:9][OH:76])[O:111]4)[C@H:40]([OH:91])[C@@H:30]([CH2:15][O:107][C@@H:64]4[C@@H:50]([OH:101])[C@@H:47]([OH:98])[C@H:39]([OH:90])[C@@H:29]([CH2:14][O:106][C@H:60]5[C@H:31]([N:70]=[C:18]([CH3:3])[OH:81])[C@@H:41]([OH:92])[C@H:55]([O:118][C@H:65]6[C@H:51]([OH:102])[C@@H:45]([OH:96])[C@@H:36]([OH:87])[C@@H:23]([CH2:7][OH:74])[O:109]6)[C@@H:26]([CH2:10][OH:77])[O:112]5)[O:115]4)[O:116]3)[C@@H:28]([CH2:12][OH:79])[O:113]2)[OH:84])[O:108]1

Parent-child relations graph

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