(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-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 MNXM1112901 reference chebi:146925 formula C43H72N2O33 global charge 0 mol weight 1145.03 InChIKey CWHIXMUNFYMAPO-WMZYMMBPSA-N InChI InChI=1S/C43H72N2O33/c1-10-21(54)25(58)29(62)39(69-10)76-35-20(45-12(3)51)38(77-36-24(57)15(6-47)71-41(31(36)64)74-32-16(7-48)70-37(65)28(61)27(32)60)72-17(8-49)33(35)75-40-30(63)26(59)23(56)18(73-40)9-68-43(42(66)67)4-13(52)19(44-11(2)50)34(78-43)22(55)14(53)5-46/h10,13-41,46-49,52-65H,4-9H2,1-3H3,(H,44,50)(H,45,51)(H,66,67)/t10-,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-,41-,43+/m0/s1 SMILES CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[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[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C43H72N2O33/c1-10-21(54)25(58)29(62)39(69-10)76-35-20(45-12(3)51)38(77-36-24(57)15(6-47)71-41(31(36)64)74-32-16(7-48)70-37(65)28(61)27(32)60)72-17(8-49)33(35)75-40-30(63)26(59)23(56)18(73-40)9-68-43(42(66)67)4-13(52)19(44-11(2)50)34(78-43)22(55)14(53)5-46/h10,13-41,46-49,52-65H,4-9H2,1-3H3,(H,44,50)(H,45,51)(H,66,67)/t10-,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-,41-,43+/m0/s1 SMILES (mnx) [CH3:1][C@H:10]1[C@@H:21]([OH:54])[C@@H:25]([OH:58])[C@H:29]([OH:62])[C@H:39]([O:76][C@@H:35]2[C@@H:20]([N:45]=[C:12]([CH3:3])[OH:51])[C@H:38]([O:77][C@H:36]3[C@@H:24]([OH:57])[C@@H:15]([CH2:6][OH:47])[O:71][C@@H:41]([O:74][C@@H:32]4[C@@H:16]([CH2:7][OH:48])[O:70][C@@H:37]([OH:65])[C@H:28]([OH:61])[C@H:27]4[OH:60])[C@@H:31]3[OH:64])[O:72][C@H:17]([CH2:8][OH:49])[C@H:33]2[O:75][C@H:40]2[C@H:30]([OH:63])[C@@H:26]([OH:59])[C@@H:23]([OH:56])[C@@H:18]([CH2:9][O:68][C@:43]3([C:42](=[O:66])[OH:67])[CH2:4][C@H:13]([OH:52])[C@@H:19]([N:44]=[C:11]([CH3:2])[OH:50])[C@H:34]([C@@H:22]([C@@H:14]([CH2:5][OH:46])[OH:53])[OH:55])[O:78]3)[O:73]2)[O:69]1

Parent-child relations graph

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