N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4R,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,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]oxymethyl]-3-hydroxyoxan-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 MNXM1112944 reference chebi:146988 formula C78H130N6O54 global charge 0 mol weight 2015.886 InChIKey LFNDZIRLIOMIML-CJLLHFKISA-N InChI InChI=1S/C78H130N6O54/c1-18-41(98)53(110)57(114)74(120-18)118-16-33-61(51(108)35(68(117)122-33)79-20(3)92)131-72-39(83-24(7)96)52(109)60(31(14-90)128-72)132-76-59(116)65(63(134-70-37(81-22(5)94)49(106)44(101)27(10-86)124-70)34(130-76)17-119-77-66(55(112)46(103)29(12-88)126-77)137-71-38(82-23(6)95)50(107)45(102)28(11-87)125-71)136-78-67(56(113)47(104)30(13-89)127-78)138-73-40(84-25(8)97)64(135-75-58(115)54(111)42(99)19(2)121-75)62(32(15-91)129-73)133-69-36(80-21(4)93)48(105)43(100)26(9-85)123-69/h18-19,26-78,85-91,98-117H,9-17H2,1-8H3,(H,79,92)(H,80,93)(H,81,94)(H,82,95)(H,83,96)(H,84,97)/t18-,19-,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-,68?,69-,70-,71-,72-,73-,74+,75-,76-,77-,78+/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](O)[C@H]3NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=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]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C78H130N6O54/c1-18-41(98)53(110)57(114)74(120-18)118-16-33-61(51(108)35(68(117)122-33)79-20(3)92)131-72-39(83-24(7)96)52(109)60(31(14-90)128-72)132-76-59(116)65(63(134-70-37(81-22(5)94)49(106)44(101)27(10-86)124-70)34(130-76)17-119-77-66(55(112)46(103)29(12-88)126-77)137-71-38(82-23(6)95)50(107)45(102)28(11-87)125-71)136-78-67(56(113)47(104)30(13-89)127-78)138-73-40(84-25(8)97)64(135-75-58(115)54(111)42(99)19(2)121-75)62(32(15-91)129-73)133-69-36(80-21(4)93)48(105)43(100)26(9-85)123-69/h18-19,26-78,85-91,98-117H,9-17H2,1-8H3,(H,79,92)(H,80,93)(H,81,94)(H,82,95)(H,83,96)(H,84,97)/t18-,19-,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-,68?,69-,70-,71-,72-,73-,74+,75-,76-,77-,78+/m0/s1 SMILES (mnx) [CH3:1][C@H:18]1[C@@H:41]([OH:98])[C@@H:53]([OH:110])[C@H:57]([OH:114])[C@H:74]([O:118][CH2:16][C@@H:33]2[C@@H:61]([O:131][C@H:72]3[C@H:39]([N:83]=[C:24]([CH3:7])[OH:96])[C@@H:52]([OH:109])[C@H:60]([O:132][C@H:76]4[C@@H:59]([OH:116])[C@@H:65]([O:136][C@@H:78]5[C@@H:67]([O:138][C@H:73]6[C@H:40]([N:84]=[C:25]([CH3:8])[OH:97])[C@@H:64]([O:135][C@H:75]7[C@@H:58]([OH:115])[C@H:54]([OH:111])[C@H:42]([OH:99])[C@H:19]([CH3:2])[O:121]7)[C@H:62]([O:133][C@H:69]7[C@H:36]([N:80]=[C:21]([CH3:4])[OH:93])[C@@H:48]([OH:105])[C@@H:43]([OH:100])[C@@H:26]([CH2:9][OH:85])[O:123]7)[C@@H:32]([CH2:15][OH:91])[O:129]6)[C@@H:56]([OH:113])[C@H:47]([OH:104])[C@@H:30]([CH2:13][OH:89])[O:127]5)[C@H:63]([O:134][C@H:70]5[C@H:37]([N:81]=[C:22]([CH3:5])[OH:94])[C@@H:49]([OH:106])[C@H:44]([OH:101])[C@@H:27]([CH2:10][OH:86])[O:124]5)[C@@H:34]([CH2:17][O:119][C@@H:77]5[C@@H:66]([O:137][C@H:71]6[C@H:38]([N:82]=[C:23]([CH3:6])[OH:95])[C@@H:50]([OH:107])[C@H:45]([OH:102])[C@@H:28]([CH2:11][OH:87])[O:125]6)[C@@H:55]([OH:112])[C@H:46]([OH:103])[C@@H:29]([CH2:12][OH:88])[O:126]5)[O:130]4)[C@@H:31]([CH2:14][OH:90])[O:128]3)[C@H:51]([OH:108])[C@@H:35]([N:79]=[C:20]([CH3:3])[OH:92])[CH:68]([OH:117])[O:122]2)[O:120]1

Parent-child relations graph

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