N-[(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-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2R,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-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide

Properties Image MNX_ID MNXM1113236 reference chebi:147466 formula C62H104N4O45 global charge 0 mol weight 1625.497 InChIKey ATBRMGSBZUFAPJ-COWQIROYSA-N InChI InChI=1S/C62H104N4O45/c1-14-31(77)41(87)45(91)58(97-14)95-13-26-50(38(84)27(54(94)98-26)63-15(2)73)106-56-29(65-17(4)75)39(85)49(24(11-72)103-56)108-60-47(93)51(109-62-53(44(90)35(81)22(9-70)102-62)111-55-28(64-16(3)74)37(83)32(78)19(6-67)99-55)36(82)25(105-60)12-96-61-52(43(89)34(80)21(8-69)101-61)110-57-30(66-18(5)76)40(86)48(23(10-71)104-57)107-59-46(92)42(88)33(79)20(7-68)100-59/h14,19-62,67-72,77-94H,6-13H2,1-5H3,(H,63,73)(H,64,74)(H,65,75)(H,66,76)/t14-,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-,58+,59+,60-,61-,62+/m0/s1 SMILES CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO[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](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C62H104N4O45/c1-14-31(77)41(87)45(91)58(97-14)95-13-26-50(38(84)27(54(94)98-26)63-15(2)73)106-56-29(65-17(4)75)39(85)49(24(11-72)103-56)108-60-47(93)51(109-62-53(44(90)35(81)22(9-70)102-62)111-55-28(64-16(3)74)37(83)32(78)19(6-67)99-55)36(82)25(105-60)12-96-61-52(43(89)34(80)21(8-69)101-61)110-57-30(66-18(5)76)40(86)48(23(10-71)104-57)107-59-46(92)42(88)33(79)20(7-68)100-59/h14,19-62,67-72,77-94H,6-13H2,1-5H3,(H,63,73)(H,64,74)(H,65,75)(H,66,76)/t14-,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-,58+,59+,60-,61-,62+/m0/s1 SMILES (mnx) [CH3:1][C@H:14]1[C@@H:31]([OH:77])[C@@H:41]([OH:87])[C@H:45]([OH:91])[C@H:58]([O:95][CH2:13][C@@H:26]2[C@@H:50]([O:106][C@H:56]3[C@H:29]([N:65]=[C:17]([CH3:4])[OH:75])[C@@H:39]([OH:85])[C@H:49]([O:108][C@H:60]4[C@@H:47]([OH:93])[C@@H:51]([O:109][C@@H:62]5[C@@H:53]([O:111][C@H:55]6[C@H:28]([N:64]=[C:16]([CH3:3])[OH:74])[C@@H:37]([OH:83])[C@H:32]([OH:78])[C@@H:19]([CH2:6][OH:67])[O:99]6)[C@@H:44]([OH:90])[C@H:35]([OH:81])[C@@H:22]([CH2:9][OH:70])[O:102]5)[C@H:36]([OH:82])[C@@H:25]([CH2:12][O:96][C@@H:61]5[C@@H:52]([O:110][C@H:57]6[C@H:30]([N:66]=[C:18]([CH3:5])[OH:76])[C@@H:40]([OH:86])[C@H:48]([O:107][C@@H:59]7[C@H:46]([OH:92])[C@@H:42]([OH:88])[C@@H:33]([OH:79])[C@@H:20]([CH2:7][OH:68])[O:100]7)[C@@H:23]([CH2:10][OH:71])[O:104]6)[C@@H:43]([OH:89])[C@H:34]([OH:80])[C@@H:21]([CH2:8][OH:69])[O:101]5)[O:105]4)[C@@H:24]([CH2:11][OH:72])[O:103]3)[C@H:38]([OH:84])[C@@H:27]([N:63]=[C:15]([CH3:2])[OH:73])[CH:54]([OH:94])[O:98]2)[O:97]1

Parent-child relations graph

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