(2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-[[(2R,3R,4R,5R)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-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 MNXM1113148 reference chebi:147261 formula C64H105N5O50S global charge 0 mol weight 1776.596 InChIKey HVERCOVEPLJJOE-LIOFPRLCSA-N InChI InChI=1S/C64H105N5O50S/c1-16(76)65-31-21(81)6-63(61(97)98,116-50(31)36(85)23(83)8-70)118-53-39(88)26(11-73)108-59(45(53)94)112-47-27(12-74)109-56(33(42(47)91)67-18(3)78)104-14-29-40(89)49(35(55(96)106-29)69-20(5)80)114-58-44(93)52(38(87)25(10-72)107-58)115-57-34(68-19(4)79)43(92)48(28(13-75)110-57)113-60-46(95)54(41(90)30(111-60)15-105-120(101,102)103)119-64(62(99)100)7-22(82)32(66-17(2)77)51(117-64)37(86)24(84)9-71/h21-60,70-75,81-96H,6-15H2,1-5H3,(H,65,76)(H,66,77)(H,67,78)(H,68,79)(H,69,80)(H,97,98)(H,99,100)(H,101,102,103)/t21-,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-,63-,64-/m0/s1 SMILES CC(=O)N[C@H]1[C@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](COS(=O)(=O)O)[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]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C64H105N5O50S/c1-16(76)65-31-21(81)6-63(61(97)98,116-50(31)36(85)23(83)8-70)118-53-39(88)26(11-73)108-59(45(53)94)112-47-27(12-74)109-56(33(42(47)91)67-18(3)78)104-14-29-40(89)49(35(55(96)106-29)69-20(5)80)114-58-44(93)52(38(87)25(10-72)107-58)115-57-34(68-19(4)79)43(92)48(28(13-75)110-57)113-60-46(95)54(41(90)30(111-60)15-105-120(101,102)103)119-64(62(99)100)7-22(82)32(66-17(2)77)51(117-64)37(86)24(84)9-71/h21-60,70-75,81-96H,6-15H2,1-5H3,(H,65,76)(H,66,77)(H,67,78)(H,68,79)(H,69,80)(H,97,98)(H,99,100)(H,101,102,103)/t21-,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-,63-,64-/m0/s1 SMILES (mnx) [CH3:1][C:16](=[N:65][C@@H:31]1[C@@H:21]([OH:81])[CH2:6][C@@:63]([C:61](=[O:97])[OH:98])([O:118][C@H:53]2[C@@H:39]([OH:88])[C@@H:26]([CH2:11][OH:73])[O:108][C@@H:59]([O:112][C@@H:47]3[C@@H:27]([CH2:12][OH:74])[O:109][C@@H:56]([O:104][CH2:14][C@@H:29]4[C@H:40]([OH:89])[C@H:49]([O:114][C@H:58]5[C@H:44]([OH:93])[C@@H:52]([O:115][C@H:57]6[C@H:34]([N:68]=[C:19]([CH3:4])[OH:79])[C@@H:43]([OH:92])[C@H:48]([O:113][C@H:60]7[C@H:46]([OH:95])[C@@H:54]([O:119][C@:64]8([C:62](=[O:99])[OH:100])[CH2:7][C@H:22]([OH:82])[C@@H:32]([N:66]=[C:17]([CH3:2])[OH:77])[C@H:51]([C@@H:37]([C@@H:24]([CH2:9][OH:71])[OH:84])[OH:86])[O:117]8)[C@@H:41]([OH:90])[C@@H:30]([CH2:15][O:105][S:120]([OH:101])(=[O:102])=[O:103])[O:111]7)[C@@H:28]([CH2:13][OH:75])[O:110]6)[C@@H:38]([OH:87])[C@@H:25]([CH2:10][OH:72])[O:107]5)[C@@H:35]([N:69]=[C:20]([CH3:5])[OH:80])[CH:55]([OH:96])[O:106]4)[C@H:33]([N:67]=[C:18]([CH3:3])[OH:78])[C@H:42]3[OH:91])[C@@H:45]2[OH:94])[O:116][C@H:50]1[C@@H:36]([C@@H:23]([CH2:8][OH:70])[OH:83])[OH:85])[OH:76]

Parent-child relations graph

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