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

Properties Image MNX_ID MNXM1112715 reference chebi:146682 formula C118H196N8O86 global charge 0 mol weight 3102.836 InChIKey QYVXCKJAZMEXOU-YZILISHJSA-N InChI InChI=1S/C118H196N8O86/c1-26(143)119-51-64(156)87(38(13-131)181-102(51)179)198-103-52(120-27(2)144)69(161)94(45(20-138)186-103)209-116-86(178)99(63(155)50(197-116)25-180-117-100(75(167)62(154)37(12-130)185-117)211-108-57(125-32(7)149)70(162)92(43(18-136)191-108)207-114-83(175)77(169)96(47(22-140)194-114)200-105-54(122-29(4)146)66(158)89(40(15-133)188-105)204-111-80(172)73(165)60(152)35(10-128)183-111)210-118-101(212-109-58(126-33(8)150)71(163)93(44(19-137)192-109)208-115-84(176)78(170)97(48(23-141)195-115)201-106-55(123-30(5)147)67(159)90(41(16-134)189-106)205-112-81(173)74(166)61(153)36(11-129)184-112)85(177)98(49(24-142)196-118)202-107-56(124-31(6)148)68(160)91(42(17-135)190-107)206-113-82(174)76(168)95(46(21-139)193-113)199-104-53(121-28(3)145)65(157)88(39(14-132)187-104)203-110-79(171)72(164)59(151)34(9-127)182-110/h34-118,127-142,151-179H,9-25H2,1-8H3,(H,119,143)(H,120,144)(H,121,145)(H,122,146)(H,123,147)(H,124,148)(H,125,149)(H,126,150)/t34-,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-,85+,86+,87-,88-,89-,90-,91-,92-,93-,94-,95+,96+,97+,98-,99+,100+,101+,102-,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118-/m1/s1 SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[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]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O MNX internals InChI (mnx) InChI=1/C118H196N8O86/c1-26(143)119-51-64(156)87(38(13-131)181-102(51)179)198-103-52(120-27(2)144)69(161)94(45(20-138)186-103)209-116-86(178)99(63(155)50(197-116)25-180-117-100(75(167)62(154)37(12-130)185-117)211-108-57(125-32(7)149)70(162)92(43(18-136)191-108)207-114-83(175)77(169)96(47(22-140)194-114)200-105-54(122-29(4)146)66(158)89(40(15-133)188-105)204-111-80(172)73(165)60(152)35(10-128)183-111)210-118-101(212-109-58(126-33(8)150)71(163)93(44(19-137)192-109)208-115-84(176)78(170)97(48(23-141)195-115)201-106-55(123-30(5)147)67(159)90(41(16-134)189-106)205-112-81(173)74(166)61(153)36(11-129)184-112)85(177)98(49(24-142)196-118)202-107-56(124-31(6)148)68(160)91(42(17-135)190-107)206-113-82(174)76(168)95(46(21-139)193-113)199-104-53(121-28(3)145)65(157)88(39(14-132)187-104)203-110-79(171)72(164)59(151)34(9-127)182-110/h34-118,127-142,151-179H,9-25H2,1-8H3,(H,119,143)(H,120,144)(H,121,145)(H,122,146)(H,123,147)(H,124,148)(H,125,149)(H,126,150)/t34-,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-,85+,86+,87-,88-,89-,90-,91-,92-,93-,94-,95+,96+,97+,98-,99+,100+,101+,102-,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118-/m1/s1 SMILES (mnx) [CH3:1][C:26](=[N:119][C@@H:51]1[C@@H:64]([OH:156])[C@H:87]([O:198][C@H:103]2[C@H:52]([N:120]=[C:27]([CH3:2])[OH:144])[C@@H:69]([OH:161])[C@H:94]([O:209][C@H:116]3[C@@H:86]([OH:178])[C@@H:99]([O:210][C@@H:118]4[C@@H:101]([O:212][C@H:109]5[C@H:58]([N:126]=[C:33]([CH3:8])[OH:150])[C@@H:71]([OH:163])[C@H:93]([O:208][C@H:115]6[C@H:84]([OH:176])[C@@H:78]([OH:170])[C@@H:97]([O:201][C@H:106]7[C@H:55]([N:123]=[C:30]([CH3:5])[OH:147])[C@@H:67]([OH:159])[C@H:90]([O:205][C@H:112]8[C@H:81]([OH:173])[C@@H:74]([OH:166])[C@@H:61]([OH:153])[C@@H:36]([CH2:11][OH:129])[O:184]8)[C@@H:41]([CH2:16][OH:134])[O:189]7)[C@@H:48]([CH2:23][OH:141])[O:195]6)[C@@H:44]([CH2:19][OH:137])[O:192]5)[C@@H:85]([OH:177])[C@H:98]([O:202][C@H:107]5[C@H:56]([N:124]=[C:31]([CH3:6])[OH:148])[C@@H:68]([OH:160])[C@H:91]([O:206][C@H:113]6[C@H:82]([OH:174])[C@@H:76]([OH:168])[C@@H:95]([O:199][C@H:104]7[C@H:53]([N:121]=[C:28]([CH3:3])[OH:145])[C@@H:65]([OH:157])[C@H:88]([O:203][C@H:110]8[C@H:79]([OH:171])[C@@H:72]([OH:164])[C@@H:59]([OH:151])[C@@H:34]([CH2:9][OH:127])[O:182]8)[C@@H:39]([CH2:14][OH:132])[O:187]7)[C@@H:46]([CH2:21][OH:139])[O:193]6)[C@@H:42]([CH2:17][OH:135])[O:190]5)[C@@H:49]([CH2:24][OH:142])[O:196]4)[C@H:63]([OH:155])[C@@H:50]([CH2:25][O:180][C@@H:117]4[C@@H:100]([O:211][C@H:108]5[C@H:57]([N:125]=[C:32]([CH3:7])[OH:149])[C@@H:70]([OH:162])[C@H:92]([O:207][C@H:114]6[C@H:83]([OH:175])[C@@H:77]([OH:169])[C@@H:96]([O:200][C@H:105]7[C@H:54]([N:122]=[C:29]([CH3:4])[OH:146])[C@@H:66]([OH:158])[C@H:89]([O:204][C@H:111]8[C@H:80]([OH:172])[C@@H:73]([OH:165])[C@@H:60]([OH:152])[C@@H:35]([CH2:10][OH:128])[O:183]8)[C@@H:40]([CH2:15][OH:133])[O:188]7)[C@@H:47]([CH2:22][OH:140])[O:194]6)[C@@H:43]([CH2:18][OH:136])[O:191]5)[C@@H:75]([OH:167])[C@H:62]([OH:154])[C@@H:37]([CH2:12][OH:130])[O:185]4)[O:197]3)[C@@H:45]([CH2:20][OH:138])[O:186]2)[C@@H:38]([CH2:13][OH:131])[O:181][C@H:102]1[OH:179])[OH:143]

Parent-child relations graph

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