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

Properties Image MNX_ID MNXM1113003 reference chebi:147077 formula C73H119N5O55 global charge 0 mol weight 1946.735 InChIKey JTCJVQKJKOWAQX-VDHGFBLMSA-N InChI InChI=1S/C73H119N5O55/c1-18(85)74-35-23(90)6-71(68(111)112,130-57(35)40(96)26(93)9-79)118-16-33-43(99)48(104)51(107)65(125-33)126-54-31(14-84)122-63(38(47(54)103)77-21(4)88)117-15-32-46(102)60(52(108)66(124-32)127-55-30(13-83)120-62(110)50(106)49(55)105)129-64-39(78-22(5)89)56(45(101)34(123-64)17-119-72(69(113)114)7-24(91)36(75-19(2)86)58(131-72)41(97)27(94)10-80)128-67-53(109)61(44(100)29(12-82)121-67)133-73(70(115)116)8-25(92)37(76-20(3)87)59(132-73)42(98)28(95)11-81/h23-67,79-84,90-110H,6-17H2,1-5H3,(H,74,85)(H,75,86)(H,76,87)(H,77,88)(H,78,89)(H,111,112)(H,113,114)(H,115,116)/t23-,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?,63+,64-,65-,66-,67-,71+,72+,73-/m0/s1 SMILES CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[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]4O)[C@H]3NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[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](O)[C@H](O)[C@H]2O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C73H119N5O55/c1-18(85)74-35-23(90)6-71(68(111)112,130-57(35)40(96)26(93)9-79)118-16-33-43(99)48(104)51(107)65(125-33)126-54-31(14-84)122-63(38(47(54)103)77-21(4)88)117-15-32-46(102)60(52(108)66(124-32)127-55-30(13-83)120-62(110)50(106)49(55)105)129-64-39(78-22(5)89)56(45(101)34(123-64)17-119-72(69(113)114)7-24(91)36(75-19(2)86)58(131-72)41(97)27(94)10-80)128-67-53(109)61(44(100)29(12-82)121-67)133-73(70(115)116)8-25(92)37(76-20(3)87)59(132-73)42(98)28(95)11-81/h23-67,79-84,90-110H,6-17H2,1-5H3,(H,74,85)(H,75,86)(H,76,87)(H,77,88)(H,78,89)(H,111,112)(H,113,114)(H,115,116)/t23-,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?,63+,64-,65-,66-,67-,71+,72+,73-/m0/s1 SMILES (mnx) [CH3:1][C:18](=[N:74][C@@H:35]1[C@@H:23]([OH:90])[CH2:6][C@@:71]([C:68](=[O:111])[OH:112])([O:118][CH2:16][C@@H:33]2[C@H:43]([OH:99])[C@H:48]([OH:104])[C@@H:51]([OH:107])[C@H:65]([O:126][C@@H:54]3[C@@H:31]([CH2:14][OH:84])[O:122][C@@H:63]([O:117][CH2:15][C@@H:32]4[C@H:46]([OH:102])[C@H:60]([O:129][C@H:64]5[C@H:39]([N:78]=[C:22]([CH3:5])[OH:89])[C@@H:56]([O:128][C@H:67]6[C@H:53]([OH:109])[C@@H:61]([O:133][C@:73]7([C:70](=[O:115])[OH:116])[CH2:8][C@H:25]([OH:92])[C@@H:37]([N:76]=[C:20]([CH3:3])[OH:87])[C@H:59]([C@@H:42]([C@@H:28]([CH2:11][OH:81])[OH:95])[OH:98])[O:132]7)[C@@H:44]([OH:100])[C@@H:29]([CH2:12][OH:82])[O:121]6)[C@H:45]([OH:101])[C@@H:34]([CH2:17][O:119][C@:72]6([C:69](=[O:113])[OH:114])[CH2:7][C@H:24]([OH:91])[C@@H:36]([N:75]=[C:19]([CH3:2])[OH:86])[C@H:58]([C@@H:41]([C@@H:27]([CH2:10][OH:80])[OH:94])[OH:97])[O:131]6)[O:123]5)[C@@H:52]([OH:108])[C@H:66]([O:127][C@@H:55]5[C@@H:30]([CH2:13][OH:83])[O:120][CH:62]([OH:110])[C@H:50]([OH:106])[C@H:49]5[OH:105])[O:124]4)[C@H:38]([N:77]=[C:21]([CH3:4])[OH:88])[C@H:47]3[OH:103])[O:125]2)[O:130][C@H:57]1[C@@H:40]([C@@H:26]([CH2:9][OH:79])[OH:93])[OH:96])[OH:85]

Parent-child relations graph

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