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

PropertiesImage
MNX_IDMNXM1113345 Image of MNXM1113345
referencechebi:147603
formulaC36H61N3O26
global charge0
mol weight951.879
InChIKeyNNZDKAMDYUTWFX-DPWNKPKQSA-N
InChIInChI=1S/C36H61N3O26/c1-9(45)37-17-24(52)28(16(8-44)61-33(17)63-29-18(38-10(2)46)32(56)57-13(5-41)21(29)49)62-36-27(55)31(23(51)15(7-43)60-36)65-34-19(39-11(3)47)30(22(50)14(6-42)58-34)64-35-26(54)25(53)20(48)12(4-40)59-35/h12-36,40-44,48-56H,4-8H2,1-3H3,(H,37,45)(H,38,46)(H,39,47)/t12-,13-,14-,15-,16-,17-,18-,19-,20+,21+,22-,23+,24-,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+/m1/s1
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@@H](CO)O[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C36H61N3O26/c1-9(45)37-17-24(52)28(16(8-44)61-33(17)63-29-18(38-10(2)46)32(56)57-13(5-41)21(29)49)62-36-27(55)31(23(51)15(7-43)60-36)65-34-19(39-11(3)47)30(22(50)14(6-42)58-34)64-35-26(54)25(53)20(48)12(4-40)59-35/h12-36,40-44,48-56H,4-8H2,1-3H3,(H,37,45)(H,38,46)(H,39,47)/t12-,13-,14-,15-,16-,17-,18-,19-,20+,21+,22-,23+,24-,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+/m1/s1 Image of MNXM1113345
SMILES (mnx)[CH3:1][C:9](=[N:37][C@@H:17]1[C@@H:24]([OH:52])[C@H:28]([O:62][C@H:36]2[C@H:27]([OH:55])[C@@H:31]([O:65][C@H:34]3[C@H:19]([N:39]=[C:11]([CH3:3])[OH:47])[C@@H:30]([O:64][C@H:35]4[C@H:26]([OH:54])[C@@H:25]([OH:53])[C@@H:20]([OH:48])[C@@H:12]([CH2:4][OH:40])[O:59]4)[C@H:22]([OH:50])[C@@H:14]([CH2:6][OH:42])[O:58]3)[C@@H:23]([OH:51])[C@@H:15]([CH2:7][OH:43])[O:60]2)[C@@H:16]([CH2:8][OH:44])[O:61][C@H:33]1[O:63][C@@H:29]1[C@@H:18]([N:38]=[C:10]([CH3:2])[OH:46])[C@@H:32]([OH:56])[O:57][C@H:13]([CH2:5][OH:41])[C@@H:21]1[OH:49])[OH:45]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:147603
chebi:147603
NNZDKAMDYUTWFX-DPWNKPKQSA-N
N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Gal(b1-3)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)a-GalNAc
WURCS=2.0/3,5,4/[a2112h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-2-3/a3-b1_b4-c1_c3-d1_d3-e1
beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose

CHEBI:151142
chebi:151142
NNZDKAMDYUTWFX-DOWRNCAZSA-N
N-[(2R,3R,4R,5S,6R)-2-[(3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Gal(b1-3)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)GalNAc
WURCS=2.0/3,5,4/[a2112h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-2-3/a3-b1_b4-c1_c3-d1_d3-e1
beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranose