(2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-[(2R,3S,4R,5S)-5-acetamido-4-[(2R,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-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-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 MNXM1112598 reference chebi:146525 formula C56H94N4O41 global charge 0 mol weight 1479.355 InChIKey BJOUAGDXZIVVJE-XGZHETSHSA-N InChI InChI=1S/C56H94N4O41/c1-15-32(76)38(82)39(83)50(91-15)97-46-31(60-19(5)70)49(94-28(13-66)43(46)96-52-41(85)48(37(81)27(12-65)93-52)101-56(54(88)89)7-22(72)30(59-18(4)69)45(99-56)34(78)24(74)10-63)90-14-25(75)35(79)42(20(8-61)57-16(2)67)95-51-40(84)47(36(80)26(11-64)92-51)100-55(53(86)87)6-21(71)29(58-17(3)68)44(98-55)33(77)23(73)9-62/h15,20-52,61-66,71-85H,6-14H2,1-5H3,(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H,86,87)(H,88,89)/t15-,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-,55-,56-/m0/s1 SMILES CC(=O)N[C@H]1[C@H](OC[C@@H](O)[C@H](O)[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](CO)NC(C)=O)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[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C56H94N4O41/c1-15-32(76)38(82)39(83)50(91-15)97-46-31(60-19(5)70)49(94-28(13-66)43(46)96-52-41(85)48(37(81)27(12-65)93-52)101-56(54(88)89)7-22(72)30(59-18(4)69)45(99-56)34(78)24(74)10-63)90-14-25(75)35(79)42(20(8-61)57-16(2)67)95-51-40(84)47(36(80)26(11-64)92-51)100-55(53(86)87)6-21(71)29(58-17(3)68)44(98-55)33(77)23(73)9-62/h15,20-52,61-66,71-85H,6-14H2,1-5H3,(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H,86,87)(H,88,89)/t15-,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-,55-,56-/m0/s1 SMILES (mnx) [CH3:1][C@H:15]1[C@@H:32]([OH:76])[C@@H:38]([OH:82])[C@H:39]([OH:83])[C@H:50]([O:97][C@@H:46]2[C@@H:31]([N:60]=[C:19]([CH3:5])[OH:70])[C@H:49]([O:90][CH2:14][C@H:25]([C@@H:35]([C@@H:42]([C@H:20]([CH2:8][OH:61])[N:57]=[C:16]([CH3:2])[OH:67])[O:95][C@H:51]3[C@H:40]([OH:84])[C@@H:47]([O:100][C@:55]4([C:53](=[O:86])[OH:87])[CH2:6][C@H:21]([OH:71])[C@@H:29]([N:58]=[C:17]([CH3:3])[OH:68])[C@H:44]([C@@H:33]([C@@H:23]([CH2:9][OH:62])[OH:73])[OH:77])[O:98]4)[C@@H:36]([OH:80])[C@@H:26]([CH2:11][OH:64])[O:92]3)[OH:79])[OH:75])[O:94][C@H:28]([CH2:13][OH:66])[C@H:43]2[O:96][C@H:52]2[C@H:41]([OH:85])[C@@H:48]([O:101][C@:56]3([C:54](=[O:88])[OH:89])[CH2:7][C@H:22]([OH:72])[C@@H:30]([N:59]=[C:18]([CH3:4])[OH:69])[C@H:45]([C@@H:34]([C@@H:24]([CH2:10][OH:63])[OH:74])[OH:78])[O:99]3)[C@@H:37]([OH:81])[C@@H:27]([CH2:12][OH:65])[O:93]2)[O:91]1

Parent-child relations graph

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