(2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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 MNXM1113552 reference chebi:147877 formula C59H98N4O44 global charge 0 mol weight 1567.417 InChIKey KAVUFRDFOVNXRO-UUGVDZQQSA-N InChI InChI=1S/C59H98N4O44/c1-14(71)60-27-18(75)5-59(58(91)92,106-47(27)31(77)19(76)6-64)107-49-34(80)22(9-67)96-56(43(49)89)103-46-25(12-70)99-53(30(38(46)84)63-17(4)74)105-50-40(86)33(79)21(8-66)97-57(50)93-13-26-35(81)48(104-54-41(87)39(85)32(78)20(7-65)95-54)42(88)55(100-26)102-45-24(11-69)98-52(29(37(45)83)62-16(3)73)101-44-23(10-68)94-51(90)28(36(44)82)61-15(2)72/h18-57,64-70,75-90H,5-13H2,1-4H3,(H,60,71)(H,61,72)(H,62,73)(H,63,74)(H,91,92)/t18-,19+,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-,59-/m0/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@]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](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[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/C59H98N4O44/c1-14(71)60-27-18(75)5-59(58(91)92,106-47(27)31(77)19(76)6-64)107-49-34(80)22(9-67)96-56(43(49)89)103-46-25(12-70)99-53(30(38(46)84)63-17(4)74)105-50-40(86)33(79)21(8-66)97-57(50)93-13-26-35(81)48(104-54-41(87)39(85)32(78)20(7-65)95-54)42(88)55(100-26)102-45-24(11-69)98-52(29(37(45)83)62-16(3)73)101-44-23(10-68)94-51(90)28(36(44)82)61-15(2)72/h18-57,64-70,75-90H,5-13H2,1-4H3,(H,60,71)(H,61,72)(H,62,73)(H,63,74)(H,91,92)/t18-,19+,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-,59-/m0/s1 SMILES (mnx) [CH3:1][C:14](=[N:60][C@@H:27]1[C@@H:18]([OH:75])[CH2:5][C@@:59]([C:58](=[O:91])[OH:92])([O:107][C@H:49]2[C@@H:34]([OH:80])[C@@H:22]([CH2:9][OH:67])[O:96][C@@H:56]([O:103][C@@H:46]3[C@@H:25]([CH2:12][OH:70])[O:99][C@@H:53]([O:105][C@H:50]4[C@@H:40]([OH:86])[C@H:33]([OH:79])[C@@H:21]([CH2:8][OH:66])[O:97][C@@H:57]4[O:93][CH2:13][C@@H:26]4[C@@H:35]([OH:81])[C@H:48]([O:104][C@H:54]5[C@@H:41]([OH:87])[C@@H:39]([OH:85])[C@H:32]([OH:78])[C@@H:20]([CH2:7][OH:65])[O:95]5)[C@H:42]([OH:88])[C@H:55]([O:102][C@@H:45]5[C@@H:24]([CH2:11][OH:69])[O:98][C@@H:52]([O:101][C@@H:44]6[C@@H:23]([CH2:10][OH:68])[O:94][C@@H:51]([OH:90])[C@H:28]([N:61]=[C:15]([CH3:2])[OH:72])[C@H:36]6[OH:82])[C@H:29]([N:62]=[C:16]([CH3:3])[OH:73])[C@H:37]5[OH:83])[O:100]4)[C@H:30]([N:63]=[C:17]([CH3:4])[OH:74])[C@H:38]3[OH:84])[C@@H:43]2[OH:89])[O:106][C@H:47]1[C@@H:31]([C@@H:19]([CH2:6][OH:64])[OH:76])[OH:77])[OH:71]

Parent-child relations graph

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