N-[(3R,4R,5R,6R)-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Properties Image MNX_ID MNXM1113513 reference chebi:147827 formula C40H68N2O30 global charge 0 mol weight 1056.968 InChIKey MPJZZJMQIVBRDC-BXTYETGSSA-N InChI InChI=1S/C40H68N2O30/c1-9-19(49)24(54)28(58)38(63-9)71-33-18(42-11(3)48)36(67-15(7-46)31(33)69-39-29(59)26(56)21(51)13(5-44)66-39)72-34-23(53)16(8-62-37-27(57)25(55)20(50)12(4-43)65-37)68-40(30(34)60)70-32-17(41-10(2)47)35(61)64-14(6-45)22(32)52/h9,12-40,43-46,49-61H,4-8H2,1-3H3,(H,41,47)(H,42,48)/t9-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22-,23-,24+,25-,26-,27+,28-,29+,30+,31+,32+,33+,34-,35?,36-,37+,38-,39-,40-/m0/s1 SMILES CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)OC(O)[C@@H]3NC(C)=O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[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/C40H68N2O30/c1-9-19(49)24(54)28(58)38(63-9)71-33-18(42-11(3)48)36(67-15(7-46)31(33)69-39-29(59)26(56)21(51)13(5-44)66-39)72-34-23(53)16(8-62-37-27(57)25(55)20(50)12(4-43)65-37)68-40(30(34)60)70-32-17(41-10(2)47)35(61)64-14(6-45)22(32)52/h9,12-40,43-46,49-61H,4-8H2,1-3H3,(H,41,47)(H,42,48)/t9-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22-,23-,24+,25-,26-,27+,28-,29+,30+,31+,32+,33+,34-,35?,36-,37+,38-,39-,40-/m0/s1 SMILES (mnx) [CH3:1][C@H:9]1[C@@H:19]([OH:49])[C@@H:24]([OH:54])[C@H:28]([OH:58])[C@H:38]([O:71][C@@H:33]2[C@@H:18]([N:42]=[C:11]([CH3:3])[OH:48])[C@H:36]([O:72][C@H:34]3[C@@H:23]([OH:53])[C@@H:16]([CH2:8][O:62][C@H:37]4[C@H:27]([OH:57])[C@@H:25]([OH:55])[C@@H:20]([OH:50])[C@@H:12]([CH2:4][OH:43])[O:65]4)[O:68][C@@H:40]([O:70][C@@H:32]4[C@@H:17]([N:41]=[C:10]([CH3:2])[OH:47])[CH:35]([OH:61])[O:64][C@H:14]([CH2:6][OH:45])[C@@H:22]4[OH:52])[C@@H:30]3[OH:60])[O:67][C@H:15]([CH2:7][OH:46])[C@H:31]2[O:69][C@H:39]2[C@H:29]([OH:59])[C@@H:26]([OH:56])[C@@H:21]([OH:51])[C@@H:13]([CH2:5][OH:44])[O:66]2)[O:63]1

Parent-child relations graph

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