(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4R,5R,6S)-5-acetamido-6-[(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-1,2,4,6-tetrahydroxyhexan-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-[(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-4-yl]oxy-5-[(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-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Properties Image MNX_ID MNXM1113372 reference chebi:147637 formula C87H146N6O64 global charge 0 mol weight 2300.103 InChIKey RYJPHRYEDFSASY-FSCWHRRISA-N InChI InChI=1S/C87H146N6O64/c1-21(105)88-27(8-94)46(114)66(30(113)10-96)148-76-42(90-23(3)107)54(122)69(37(17-103)142-76)152-83-65(133)73(53(121)39(147-83)19-136-84-74(60(128)51(119)34(14-100)141-84)155-77-43(91-24(4)108)55(123)67(35(15-101)143-77)150-80-61(129)57(125)48(116)31(11-97)138-80)154-85-75(156-78-44(92-25(5)109)56(124)68(36(16-102)144-78)151-81-62(130)58(126)49(117)32(12-98)139-81)64(132)70(38(18-104)145-85)149-79-45(93-26(6)110)71(153-82-63(131)59(127)50(118)33(13-99)140-82)52(120)40(146-79)20-137-87(86(134)135)7-28(111)41(89-22(2)106)72(157-87)47(115)29(112)9-95/h27-85,94-104,111-133H,7-20H2,1-6H3,(H,88,105)(H,89,106)(H,90,107)(H,91,108)(H,92,109)(H,93,110)(H,134,135)/t27-,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-,78-,79-,80-,81-,82-,83-,84-,85+,87+/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)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@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[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/C87H146N6O64/c1-21(105)88-27(8-94)46(114)66(30(113)10-96)148-76-42(90-23(3)107)54(122)69(37(17-103)142-76)152-83-65(133)73(53(121)39(147-83)19-136-84-74(60(128)51(119)34(14-100)141-84)155-77-43(91-24(4)108)55(123)67(35(15-101)143-77)150-80-61(129)57(125)48(116)31(11-97)138-80)154-85-75(156-78-44(92-25(5)109)56(124)68(36(16-102)144-78)151-81-62(130)58(126)49(117)32(12-98)139-81)64(132)70(38(18-104)145-85)149-79-45(93-26(6)110)71(153-82-63(131)59(127)50(118)33(13-99)140-82)52(120)40(146-79)20-137-87(86(134)135)7-28(111)41(89-22(2)106)72(157-87)47(115)29(112)9-95/h27-85,94-104,111-133H,7-20H2,1-6H3,(H,88,105)(H,89,106)(H,90,107)(H,91,108)(H,92,109)(H,93,110)(H,134,135)/t27-,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-,78-,79-,80-,81-,82-,83-,84-,85+,87+/m0/s1 SMILES (mnx) [CH3:1][C:21](=[N:88][C@@H:27]([CH2:8][OH:94])[C@H:46]([C@@H:66]([C@@H:30]([CH2:10][OH:96])[OH:113])[O:148][C@H:76]1[C@H:42]([N:90]=[C:23]([CH3:3])[OH:107])[C@@H:54]([OH:122])[C@H:69]([O:152][C@H:83]2[C@@H:65]([OH:133])[C@@H:73]([O:154][C@@H:85]3[C@@H:75]([O:156][C@H:78]4[C@H:44]([N:92]=[C:25]([CH3:5])[OH:109])[C@@H:56]([OH:124])[C@H:68]([O:151][C@H:81]5[C@H:62]([OH:130])[C@@H:58]([OH:126])[C@@H:49]([OH:117])[C@@H:32]([CH2:12][OH:98])[O:139]5)[C@@H:36]([CH2:16][OH:102])[O:144]4)[C@@H:64]([OH:132])[C@H:70]([O:149][C@H:79]4[C@H:45]([N:93]=[C:26]([CH3:6])[OH:110])[C@@H:71]([O:153][C@H:82]5[C@H:63]([OH:131])[C@@H:59]([OH:127])[C@@H:50]([OH:118])[C@@H:33]([CH2:13][OH:99])[O:140]5)[C@H:52]([OH:120])[C@@H:40]([CH2:20][O:137][C@:87]5([C:86](=[O:134])[OH:135])[CH2:7][C@H:28]([OH:111])[C@@H:41]([N:89]=[C:22]([CH3:2])[OH:106])[C@H:72]([C@@H:47]([C@@H:29]([CH2:9][OH:95])[OH:112])[OH:115])[O:157]5)[O:146]4)[C@@H:38]([CH2:18][OH:104])[O:145]3)[C@H:53]([OH:121])[C@@H:39]([CH2:19][O:136][C@@H:84]3[C@@H:74]([O:155][C@H:77]4[C@H:43]([N:91]=[C:24]([CH3:4])[OH:108])[C@@H:55]([OH:123])[C@H:67]([O:150][C@H:80]5[C@H:61]([OH:129])[C@@H:57]([OH:125])[C@@H:48]([OH:116])[C@@H:31]([CH2:11][OH:97])[O:138]5)[C@@H:35]([CH2:15][OH:101])[O:143]4)[C@@H:60]([OH:128])[C@H:51]([OH:119])[C@@H:34]([CH2:14][OH:100])[O:141]3)[O:147]2)[C@@H:37]([CH2:17][OH:103])[O:142]1)[OH:114])[OH:105]

Parent-child relations graph

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