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

Properties Image MNX_ID MNXM1113392 reference chebi:147660 formula C84H142N6O60 global charge 0 mol weight 2196.042 InChIKey KWKRRSLQDJCWPO-KZBNFOFCSA-N InChI InChI=1S/C84H142N6O60/c1-20-44(107)57(120)61(124)79(132-20)129-17-28(106)66(45(108)27(8-91)85-21(2)100)143-77-42(89-25(6)104)55(118)69(35(15-98)138-77)147-82-65(128)71(148-84-73(150-76-40(87-23(4)102)53(116)47(110)30(10-93)134-76)64(127)70(36(16-99)140-84)144-75-39(86-22(3)101)52(115)46(109)29(9-92)133-75)51(114)38(141-82)19-131-83-72(149-78-43(90-26(7)105)56(119)68(34(14-97)139-78)146-81-63(126)59(122)49(112)32(12-95)136-81)60(123)50(113)37(142-83)18-130-74-41(88-24(5)103)54(117)67(33(13-96)137-74)145-80-62(125)58(121)48(111)31(11-94)135-80/h20,27-84,91-99,106-128H,8-19H2,1-7H3,(H,85,100)(H,86,101)(H,87,102)(H,88,103)(H,89,104)(H,90,105)/t20-,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+,69+,70+,71-,72-,73-,74+,75-,76-,77-,78-,79+,80-,81-,82-,83-,84+/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]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](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=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]2O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C84H142N6O60/c1-20-44(107)57(120)61(124)79(132-20)129-17-28(106)66(45(108)27(8-91)85-21(2)100)143-77-42(89-25(6)104)55(118)69(35(15-98)138-77)147-82-65(128)71(148-84-73(150-76-40(87-23(4)102)53(116)47(110)30(10-93)134-76)64(127)70(36(16-99)140-84)144-75-39(86-22(3)101)52(115)46(109)29(9-92)133-75)51(114)38(141-82)19-131-83-72(149-78-43(90-26(7)105)56(119)68(34(14-97)139-78)146-81-63(126)59(122)49(112)32(12-95)136-81)60(123)50(113)37(142-83)18-130-74-41(88-24(5)103)54(117)67(33(13-96)137-74)145-80-62(125)58(121)48(111)31(11-94)135-80/h20,27-84,91-99,106-128H,8-19H2,1-7H3,(H,85,100)(H,86,101)(H,87,102)(H,88,103)(H,89,104)(H,90,105)/t20-,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+,69+,70+,71-,72-,73-,74+,75-,76-,77-,78-,79+,80-,81-,82-,83-,84+/m0/s1 SMILES (mnx) [CH3:1][C@H:20]1[C@@H:44]([OH:107])[C@@H:57]([OH:120])[C@H:61]([OH:124])[C@H:79]([O:129][CH2:17][C@H:28]([C@H:66]([C@@H:45]([C@H:27]([CH2:8][OH:91])[N:85]=[C:21]([CH3:2])[OH:100])[OH:108])[O:143][C@H:77]2[C@H:42]([N:89]=[C:25]([CH3:6])[OH:104])[C@@H:55]([OH:118])[C@H:69]([O:147][C@H:82]3[C@@H:65]([OH:128])[C@@H:71]([O:148][C@@H:84]4[C@@H:73]([O:150][C@H:76]5[C@H:40]([N:87]=[C:23]([CH3:4])[OH:102])[C@@H:53]([OH:116])[C@H:47]([OH:110])[C@@H:30]([CH2:10][OH:93])[O:134]5)[C@@H:64]([OH:127])[C@H:70]([O:144][C@H:75]5[C@H:39]([N:86]=[C:22]([CH3:3])[OH:101])[C@@H:52]([OH:115])[C@H:46]([OH:109])[C@@H:29]([CH2:9][OH:92])[O:133]5)[C@@H:36]([CH2:16][OH:99])[O:140]4)[C@H:51]([OH:114])[C@@H:38]([CH2:19][O:131][C@@H:83]4[C@@H:72]([O:149][C@H:78]5[C@H:43]([N:90]=[C:26]([CH3:7])[OH:105])[C@@H:56]([OH:119])[C@H:68]([O:146][C@H:81]6[C@H:63]([OH:126])[C@@H:59]([OH:122])[C@@H:49]([OH:112])[C@@H:32]([CH2:12][OH:95])[O:136]6)[C@@H:34]([CH2:14][OH:97])[O:139]5)[C@@H:60]([OH:123])[C@H:50]([OH:113])[C@@H:37]([CH2:18][O:130][C@H:74]5[C@H:41]([N:88]=[C:24]([CH3:5])[OH:103])[C@@H:54]([OH:117])[C@H:67]([O:145][C@H:80]6[C@H:62]([OH:125])[C@@H:58]([OH:121])[C@@H:48]([OH:111])[C@@H:31]([CH2:11][OH:94])[O:135]6)[C@@H:33]([CH2:13][OH:96])[O:137]5)[O:142]4)[O:141]3)[C@@H:35]([CH2:15][OH:98])[O:138]2)[OH:106])[O:132]1

Parent-child relations graph

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