N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-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 MNXM1113506 reference chebi:147818 formula C88H148N2O71 global charge 0 mol weight 2370.095 InChIKey NCEBDHZSJBUUDA-AOHCAYSPSA-N InChI InChI=1S/C88H148N2O71/c1-17(101)89-33-47(115)66(27(11-99)139-75(33)134)153-76-34(90-18(2)102)48(116)67(28(12-100)148-76)154-85-65(133)71(46(114)32(150-85)16-137-79-62(130)70(157-82-61(129)53(121)39(107)23(7-95)144-82)45(113)31(149-79)15-136-78-58(126)50(118)36(104)20(4-92)141-78)158-88-74(161-87-73(54(122)40(108)24(8-96)147-87)160-84-64(132)69(44(112)26(10-98)146-84)156-81-60(128)52(120)38(106)22(6-94)143-81)56(124)42(110)30(152-88)14-138-86-72(55(123)41(109)29(151-86)13-135-77-57(125)49(117)35(103)19(3-91)140-77)159-83-63(131)68(43(111)25(9-97)145-83)155-80-59(127)51(119)37(105)21(5-93)142-80/h19-88,91-100,103-134H,3-16H2,1-2H3,(H,89,101)(H,90,102)/t19-,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+,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-/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]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO[C@H]5O[C@H](CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)[C@@H]5O)[C@@H](O)[C@H](O)[C@@H]4O[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](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O MNX internals InChI (mnx) InChI=1/C88H148N2O71/c1-17(101)89-33-47(115)66(27(11-99)139-75(33)134)153-76-34(90-18(2)102)48(116)67(28(12-100)148-76)154-85-65(133)71(46(114)32(150-85)16-137-79-62(130)70(157-82-61(129)53(121)39(107)23(7-95)144-82)45(113)31(149-79)15-136-78-58(126)50(118)36(104)20(4-92)141-78)158-88-74(161-87-73(54(122)40(108)24(8-96)147-87)160-84-64(132)69(44(112)26(10-98)146-84)156-81-60(128)52(120)38(106)22(6-94)143-81)56(124)42(110)30(152-88)14-138-86-72(55(123)41(109)29(151-86)13-135-77-57(125)49(117)35(103)19(3-91)140-77)159-83-63(131)68(43(111)25(9-97)145-83)155-80-59(127)51(119)37(105)21(5-93)142-80/h19-88,91-100,103-134H,3-16H2,1-2H3,(H,89,101)(H,90,102)/t19-,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+,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-/m1/s1 SMILES (mnx) [CH3:1][C:17](=[N:89][C@@H:33]1[C@@H:47]([OH:115])[C@H:66]([O:153][C@H:76]2[C@H:34]([N:90]=[C:18]([CH3:2])[OH:102])[C@@H:48]([OH:116])[C@H:67]([O:154][C@H:85]3[C@@H:65]([OH:133])[C@@H:71]([O:158][C@@H:88]4[C@@H:74]([O:161][C@@H:87]5[C@@H:73]([O:160][C@@H:84]6[C@@H:64]([OH:132])[C@@H:69]([O:156][C@@H:81]7[C@@H:60]([OH:128])[C@@H:52]([OH:120])[C@H:38]([OH:106])[C@@H:22]([CH2:6][OH:94])[O:143]7)[C@H:44]([OH:112])[C@@H:26]([CH2:10][OH:98])[O:146]6)[C@@H:54]([OH:122])[C@H:40]([OH:108])[C@@H:24]([CH2:8][OH:96])[O:147]5)[C@@H:56]([OH:124])[C@H:42]([OH:110])[C@@H:30]([CH2:14][O:138][C@@H:86]5[C@@H:72]([O:159][C@@H:83]6[C@@H:63]([OH:131])[C@@H:68]([O:155][C@@H:80]7[C@@H:59]([OH:127])[C@@H:51]([OH:119])[C@H:37]([OH:105])[C@@H:21]([CH2:5][OH:93])[O:142]7)[C@H:43]([OH:111])[C@@H:25]([CH2:9][OH:97])[O:145]6)[C@@H:55]([OH:123])[C@H:41]([OH:109])[C@@H:29]([CH2:13][O:135][C@@H:77]6[C@@H:57]([OH:125])[C@@H:49]([OH:117])[C@H:35]([OH:103])[C@@H:19]([CH2:3][OH:91])[O:140]6)[O:151]5)[O:152]4)[C@H:46]([OH:114])[C@@H:32]([CH2:16][O:137][C@@H:79]4[C@@H:62]([OH:130])[C@@H:70]([O:157][C@@H:82]5[C@@H:61]([OH:129])[C@@H:53]([OH:121])[C@H:39]([OH:107])[C@@H:23]([CH2:7][OH:95])[O:144]5)[C@H:45]([OH:113])[C@@H:31]([CH2:15][O:136][C@@H:78]5[C@@H:58]([OH:126])[C@@H:50]([OH:118])[C@H:36]([OH:104])[C@@H:20]([CH2:4][OH:92])[O:141]5)[O:149]4)[O:150]3)[C@@H:28]([CH2:12][OH:100])[O:148]2)[C@@H:27]([CH2:11][OH:99])[O:139][C@H:75]1[OH:134])[OH:101]

Parent-child relations graph

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