(2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6S)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Properties Image MNX_ID MNXM1113018 reference chebi:147096 formula C84H140N6O62 global charge 0 mol weight 2226.024 InChIKey BUVFPGQNCBYDJY-WAFQHRETSA-N InChI InChI=1S/C84H140N6O62/c1-21(102)85-27(9-91)46(113)62(32(112)12-94)142-73-43(88-24(4)105)54(121)63(37(17-99)138-73)143-76-59(126)68(146-80-72(58(125)50(117)34(14-96)137-80)148-75-45(90-26(6)107)56(123)65(39(19-101)140-75)145-78-61(128)70(52(119)36(16-98)135-78)152-84(82(131)132)8-29(109)42(87-23(3)104)67(150-84)48(115)31(111)11-93)53(120)40(141-76)20-133-79-71(57(124)49(116)33(13-95)136-79)147-74-44(89-25(5)106)55(122)64(38(18-100)139-74)144-77-60(127)69(51(118)35(15-97)134-77)151-83(81(129)130)7-28(108)41(86-22(2)103)66(149-83)47(114)30(110)10-92/h27-80,91-101,108-128H,7-20H2,1-6H3,(H,85,102)(H,86,103)(H,87,104)(H,88,105)(H,89,106)(H,90,107)(H,129,130)(H,131,132)/t27-,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+,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)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]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[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](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@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C84H140N6O62/c1-21(102)85-27(9-91)46(113)62(32(112)12-94)142-73-43(88-24(4)105)54(121)63(37(17-99)138-73)143-76-59(126)68(146-80-72(58(125)50(117)34(14-96)137-80)148-75-45(90-26(6)107)56(123)65(39(19-101)140-75)145-78-61(128)70(52(119)36(16-98)135-78)152-84(82(131)132)8-29(109)42(87-23(3)104)67(150-84)48(115)31(111)11-93)53(120)40(141-76)20-133-79-71(57(124)49(116)33(13-95)136-79)147-74-44(89-25(5)106)55(122)64(38(18-100)139-74)144-77-60(127)69(51(118)35(15-97)134-77)151-83(81(129)130)7-28(108)41(86-22(2)103)66(149-83)47(114)30(110)10-92/h27-80,91-101,108-128H,7-20H2,1-6H3,(H,85,102)(H,86,103)(H,87,104)(H,88,105)(H,89,106)(H,90,107)(H,129,130)(H,131,132)/t27-,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+,83-,84-/m0/s1 SMILES (mnx) [CH3:1][C:21](=[N:85][C@@H:27]([CH2:9][OH:91])[C@H:46]([C@@H:62]([C@@H:32]([CH2:12][OH:94])[OH:112])[O:142][C@H:73]1[C@H:43]([N:88]=[C:24]([CH3:4])[OH:105])[C@@H:54]([OH:121])[C@H:63]([O:143][C@H:76]2[C@@H:59]([OH:126])[C@@H:68]([O:146][C@@H:80]3[C@@H:72]([O:148][C@@H:75]4[C@H:45]([N:90]=[C:26]([CH3:6])[OH:107])[C@@H:56]([OH:123])[C@H:65]([O:145][C@H:78]5[C@H:61]([OH:128])[C@@H:70]([O:152][C@:84]6([C:82](=[O:131])[OH:132])[CH2:8][C@H:29]([OH:109])[C@@H:42]([N:87]=[C:23]([CH3:3])[OH:104])[C@H:67]([C@@H:48]([C@@H:31]([CH2:11][OH:93])[OH:111])[OH:115])[O:150]6)[C@@H:52]([OH:119])[C@@H:36]([CH2:16][OH:98])[O:135]5)[C@@H:39]([CH2:19][OH:101])[O:140]4)[C@@H:58]([OH:125])[C@H:50]([OH:117])[C@@H:34]([CH2:14][OH:96])[O:137]3)[C@H:53]([OH:120])[C@@H:40]([CH2:20][O:133][C@@H:79]3[C@@H:71]([O:147][C@@H:74]4[C@H:44]([N:89]=[C:25]([CH3:5])[OH:106])[C@@H:55]([OH:122])[C@H:64]([O:144][C@H:77]5[C@H:60]([OH:127])[C@@H:69]([O:151][C@:83]6([C:81](=[O:129])[OH:130])[CH2:7][C@H:28]([OH:108])[C@@H:41]([N:86]=[C:22]([CH3:2])[OH:103])[C@H:66]([C@@H:47]([C@@H:30]([CH2:10][OH:92])[OH:110])[OH:114])[O:149]6)[C@@H:51]([OH:118])[C@@H:35]([CH2:15][OH:97])[O:134]5)[C@@H:38]([CH2:18][OH:100])[O:139]4)[C@@H:57]([OH:124])[C@H:49]([OH:116])[C@@H:33]([CH2:13][OH:95])[O:136]3)[O:141]2)[C@@H:37]([CH2:17][OH:99])[O:138]1)[OH:113])[OH:102]

Parent-child relations graph

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