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

Properties Image MNX_ID MNXM1113519 reference chebi:147833 formula C76H129N5O55 global charge 0 mol weight 1992.848 InChIKey AQKGMUJNHSAZIH-DUVAYPAPSA-N InChI InChI=1S/C76H129N5O55/c1-18-39(97)50(108)54(112)71(119-18)117-16-25(96)59(40(98)24(7-82)77-19(2)91)129-68-36(79-21(4)93)47(105)62(32(14-89)124-68)133-74-58(116)64(45(103)34(128-74)17-118-75-65(53(111)44(102)29(11-86)123-75)135-69-37(80-22(5)94)48(106)60(30(12-87)125-69)131-72-55(113)51(109)42(100)27(9-84)121-72)134-76-66(57(115)63(33(15-90)127-76)130-67-35(78-20(3)92)46(104)41(99)26(8-83)120-67)136-70-38(81-23(6)95)49(107)61(31(13-88)126-70)132-73-56(114)52(110)43(101)28(10-85)122-73/h18,24-76,82-90,96-116H,7-17H2,1-6H3,(H,77,91)(H,78,92)(H,79,93)(H,80,94)(H,81,95)/t18-,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+/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](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]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/C76H129N5O55/c1-18-39(97)50(108)54(112)71(119-18)117-16-25(96)59(40(98)24(7-82)77-19(2)91)129-68-36(79-21(4)93)47(105)62(32(14-89)124-68)133-74-58(116)64(45(103)34(128-74)17-118-75-65(53(111)44(102)29(11-86)123-75)135-69-37(80-22(5)94)48(106)60(30(12-87)125-69)131-72-55(113)51(109)42(100)27(9-84)121-72)134-76-66(57(115)63(33(15-90)127-76)130-67-35(78-20(3)92)46(104)41(99)26(8-83)120-67)136-70-38(81-23(6)95)49(107)61(31(13-88)126-70)132-73-56(114)52(110)43(101)28(10-85)122-73/h18,24-76,82-90,96-116H,7-17H2,1-6H3,(H,77,91)(H,78,92)(H,79,93)(H,80,94)(H,81,95)/t18-,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+/m0/s1 SMILES (mnx) [CH3:1][C@H:18]1[C@@H:39]([OH:97])[C@@H:50]([OH:108])[C@H:54]([OH:112])[C@H:71]([O:117][CH2:16][C@H:25]([C@H:59]([C@@H:40]([C@H:24]([CH2:7][OH:82])[N:77]=[C:19]([CH3:2])[OH:91])[OH:98])[O:129][C@H:68]2[C@H:36]([N:79]=[C:21]([CH3:4])[OH:93])[C@@H:47]([OH:105])[C@H:62]([O:133][C@H:74]3[C@@H:58]([OH:116])[C@@H:64]([O:134][C@@H:76]4[C@@H:66]([O:136][C@H:70]5[C@H:38]([N:81]=[C:23]([CH3:6])[OH:95])[C@@H:49]([OH:107])[C@H:61]([O:132][C@H:73]6[C@H:56]([OH:114])[C@@H:52]([OH:110])[C@@H:43]([OH:101])[C@@H:28]([CH2:10][OH:85])[O:122]6)[C@@H:31]([CH2:13][OH:88])[O:126]5)[C@@H:57]([OH:115])[C@H:63]([O:130][C@H:67]5[C@H:35]([N:78]=[C:20]([CH3:3])[OH:92])[C@@H:46]([OH:104])[C@H:41]([OH:99])[C@@H:26]([CH2:8][OH:83])[O:120]5)[C@@H:33]([CH2:15][OH:90])[O:127]4)[C@H:45]([OH:103])[C@@H:34]([CH2:17][O:118][C@@H:75]4[C@@H:65]([O:135][C@H:69]5[C@H:37]([N:80]=[C:22]([CH3:5])[OH:94])[C@@H:48]([OH:106])[C@H:60]([O:131][C@H:72]6[C@H:55]([OH:113])[C@@H:51]([OH:109])[C@@H:42]([OH:100])[C@@H:27]([CH2:9][OH:84])[O:121]6)[C@@H:30]([CH2:12][OH:87])[O:125]5)[C@@H:53]([OH:111])[C@H:44]([OH:102])[C@@H:29]([CH2:11][OH:86])[O:123]4)[O:128]3)[C@@H:32]([CH2:14][OH:89])[O:124]2)[OH:96])[O:119]1

Parent-child relations graph

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