(2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-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-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-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 MNXM1112711 reference chebi:146676 formula C79H131N5O58 global charge 0 mol weight 2078.894 InChIKey ALCSXXNXXJOBBU-APRUQUMBSA-N InChI InChI=1S/C79H131N5O58/c1-18-40(101)50(111)54(115)72(123-18)137-63-39(84-23(6)98)71(131-33(16-93)61(63)136-73-55(116)51(112)42(103)26(9-86)125-73)139-66-52(113)43(104)27(10-87)127-76(66)122-17-34-46(107)64(56(117)74(132-34)134-59-31(14-91)129-69(37(48(59)109)82-21(4)96)133-58-30(13-90)124-68(119)36(47(58)108)81-20(3)95)138-77-67(53(114)44(105)28(11-88)128-77)140-70-38(83-22(5)97)49(110)60(32(15-92)130-70)135-75-57(118)65(45(106)29(12-89)126-75)142-79(78(120)121)7-24(99)35(80-19(2)94)62(141-79)41(102)25(100)8-85/h18,24-77,85-93,99-119H,7-17H2,1-6H3,(H,80,94)(H,81,95)(H,82,96)(H,83,97)(H,84,98)(H,120,121)/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+,77-,79+/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](O)[C@H]5O)[C@H](O[C@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[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](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[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/C79H131N5O58/c1-18-40(101)50(111)54(115)72(123-18)137-63-39(84-23(6)98)71(131-33(16-93)61(63)136-73-55(116)51(112)42(103)26(9-86)125-73)139-66-52(113)43(104)27(10-87)127-76(66)122-17-34-46(107)64(56(117)74(132-34)134-59-31(14-91)129-69(37(48(59)109)82-21(4)96)133-58-30(13-90)124-68(119)36(47(58)108)81-20(3)95)138-77-67(53(114)44(105)28(11-88)128-77)140-70-38(83-22(5)97)49(110)60(32(15-92)130-70)135-75-57(118)65(45(106)29(12-89)126-75)142-79(78(120)121)7-24(99)35(80-19(2)94)62(141-79)41(102)25(100)8-85/h18,24-77,85-93,99-119H,7-17H2,1-6H3,(H,80,94)(H,81,95)(H,82,96)(H,83,97)(H,84,98)(H,120,121)/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+,77-,79+/m1/s1 SMILES (mnx) [CH3:1][C@@H:18]1[C@H:40]([OH:101])[C@H:50]([OH:111])[C@@H:54]([OH:115])[C@@H:72]([O:137][C@@H:63]2[C@@H:39]([N:84]=[C:23]([CH3:6])[OH:98])[C@H:71]([O:139][C@H:66]3[C@@H:52]([OH:113])[C@H:43]([OH:104])[C@@H:27]([CH2:10][OH:87])[O:127][C@@H:76]3[O:122][CH2:17][C@@H:34]3[C@@H:46]([OH:107])[C@H:64]([O:138][C@@H:77]4[C@@H:67]([O:140][C@H:70]5[C@H:38]([N:83]=[C:22]([CH3:5])[OH:97])[C@@H:49]([OH:110])[C@H:60]([O:135][C@H:75]6[C@H:57]([OH:118])[C@@H:65]([O:142][C@:79]7([C:78](=[O:120])[OH:121])[CH2:7][C@H:24]([OH:99])[C@@H:35]([N:80]=[C:19]([CH3:2])[OH:94])[C@H:62]([C@@H:41]([C@@H:25]([CH2:8][OH:85])[OH:100])[OH:102])[O:141]7)[C@@H:45]([OH:106])[C@@H:29]([CH2:12][OH:89])[O:126]6)[C@@H:32]([CH2:15][OH:92])[O:130]5)[C@@H:53]([OH:114])[C@H:44]([OH:105])[C@@H:28]([CH2:11][OH:88])[O:128]4)[C@H:56]([OH:117])[C@H:74]([O:134][C@@H:59]4[C@@H:31]([CH2:14][OH:91])[O:129][C@@H:69]([O:133][C@@H:58]5[C@@H:30]([CH2:13][OH:90])[O:124][C@H:68]([OH:119])[C@H:36]([N:81]=[C:20]([CH3:3])[OH:95])[C@H:47]5[OH:108])[C@H:37]([N:82]=[C:21]([CH3:4])[OH:96])[C@H:48]4[OH:109])[O:132]3)[O:131][C@H:33]([CH2:16][OH:93])[C@H:61]2[O:136][C@H:73]2[C@H:55]([OH:116])[C@@H:51]([OH:112])[C@@H:42]([OH:103])[C@@H:26]([CH2:9][OH:86])[O:125]2)[O:123]1

Parent-child relations graph

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