(2R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6S)-6-[(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,6R)-5-acetamido-4,6-dihydroxy-2-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]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-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-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-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Properties Image MNX_ID MNXM1113333 reference chebi:147590 formula C85H141N5O64 global charge 0 mol weight 2257.034 InChIKey WLOOUOLCPYAKOZ-XPJMWMAESA-N InChI InChI=1S/C85H141N5O64/c1-19-42(107)54(119)59(124)77(135-19)132-17-35-67(50(115)38(73(129)136-35)86-20(2)100)146-74-39(87-21(3)101)51(116)66(31(13-97)141-74)149-81-63(128)70(49(114)33(144-81)16-133-82-71(57(122)45(110)27(9-93)139-82)152-75-40(88-22(4)102)53(118)65(32(14-98)142-75)148-80-62(127)69(48(113)29(11-95)138-80)150-78-60(125)55(120)44(109)26(8-92)137-78)151-83-72(58(123)46(111)28(10-94)140-83)153-76-41(89-23(5)103)52(117)64(30(12-96)143-76)147-79-61(126)56(121)47(112)34(145-79)18-134-85(84(130)131)6-24(104)37(90-36(106)15-99)68(154-85)43(108)25(105)7-91/h19,24-35,37-83,91-99,104-105,107-129H,6-18H2,1-5H3,(H,86,100)(H,87,101)(H,88,102)(H,89,103)(H,90,106)(H,130,131)/t19-,24-,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,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+,85+/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@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[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]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[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[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O MNX internals InChI (mnx) InChI=1/C85H141N5O64/c1-19-42(107)54(119)59(124)77(135-19)132-17-35-67(50(115)38(73(129)136-35)86-20(2)100)146-74-39(87-21(3)101)51(116)66(31(13-97)141-74)149-81-63(128)70(49(114)33(144-81)16-133-82-71(57(122)45(110)27(9-93)139-82)152-75-40(88-22(4)102)53(118)65(32(14-98)142-75)148-80-62(127)69(48(113)29(11-95)138-80)150-78-60(125)55(120)44(109)26(8-92)137-78)151-83-72(58(123)46(111)28(10-94)140-83)153-76-41(89-23(5)103)52(117)64(30(12-96)143-76)147-79-61(126)56(121)47(112)34(145-79)18-134-85(84(130)131)6-24(104)37(90-36(106)15-99)68(154-85)43(108)25(105)7-91/h19,24-35,37-83,91-99,104-105,107-129H,6-18H2,1-5H3,(H,86,100)(H,87,101)(H,88,102)(H,89,103)(H,90,106)(H,130,131)/t19-,24-,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,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+,85+/m0/s1 SMILES (mnx) [CH3:1][C@H:19]1[C@@H:42]([OH:107])[C@@H:54]([OH:119])[C@H:59]([OH:124])[C@H:77]([O:132][CH2:17][C@@H:35]2[C@@H:67]([O:146][C@H:74]3[C@H:39]([N:87]=[C:21]([CH3:3])[OH:101])[C@@H:51]([OH:116])[C@H:66]([O:149][C@H:81]4[C@@H:63]([OH:128])[C@@H:70]([O:151][C@@H:83]5[C@@H:72]([O:153][C@H:76]6[C@H:41]([N:89]=[C:23]([CH3:5])[OH:103])[C@@H:52]([OH:117])[C@H:64]([O:147][C@H:79]7[C@H:61]([OH:126])[C@@H:56]([OH:121])[C@@H:47]([OH:112])[C@@H:34]([CH2:18][O:134][C@:85]8([C:84](=[O:130])[OH:131])[CH2:6][C@H:24]([OH:104])[C@@H:37]([N:90]=[C:36]([CH2:15][OH:99])[OH:106])[C@H:68]([C@@H:43]([C@@H:25]([CH2:7][OH:91])[OH:105])[OH:108])[O:154]8)[O:145]7)[C@@H:30]([CH2:12][OH:96])[O:143]6)[C@@H:58]([OH:123])[C@H:46]([OH:111])[C@@H:28]([CH2:10][OH:94])[O:140]5)[C@H:49]([OH:114])[C@@H:33]([CH2:16][O:133][C@@H:82]5[C@@H:71]([O:152][C@H:75]6[C@H:40]([N:88]=[C:22]([CH3:4])[OH:102])[C@@H:53]([OH:118])[C@H:65]([O:148][C@H:80]7[C@H:62]([OH:127])[C@@H:69]([O:150][C@@H:78]8[C@H:60]([OH:125])[C@@H:55]([OH:120])[C@@H:44]([OH:109])[C@@H:26]([CH2:8][OH:92])[O:137]8)[C@@H:48]([OH:113])[C@@H:29]([CH2:11][OH:95])[O:138]7)[C@@H:32]([CH2:14][OH:98])[O:142]6)[C@@H:57]([OH:122])[C@H:45]([OH:110])[C@@H:27]([CH2:9][OH:93])[O:139]5)[O:144]4)[C@@H:31]([CH2:13][OH:97])[O:141]3)[C@H:50]([OH:115])[C@@H:38]([N:86]=[C:20]([CH3:2])[OH:100])[C@H:73]([OH:129])[O:136]2)[O:135]1

Parent-child relations graph

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