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

PropertiesImageOccurences in reactions
MNX_IDMNXM1112757Image of MNXM1112757
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC54H91N3O40
charge0
mass1421.51788
referencechebi:146737
InChIKeyQBGVIDNYGMAUTB-JKXDXWMCSA-N
InChIInChI=1S/C54H91N3O40/c1-12-26(68)34(76)37(79)51(83-12)97-46-45(96-48-23(55-13(2)65)33(75)27(69)16(5-58)85-48)32(74)21(10-63)90-54(46)93-42-25(57-15(4)67)50(87-18(7-60)29(42)71)95-44-31(73)20(9-62)89-53(39(44)81)92-41-24(56-14(3)66)49(86-17(6-59)28(41)70)94-43-30(72)19(8-61)88-52(38(43)80)91-40-22(11-64)84-47(82)36(78)35(40)77/h12,16-54,58-64,68-82H,5-11H2,1-4H3,(H,55,65)(H,56,66)(H,57,67)/t12-,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+,42+,43-,44-,45-,46+,47+,48+,49-,50-,51-,52-,53-,54-/m0/s1
SMILESCC(=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](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[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]4NC(C)=O)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2NC(C)=O)[C@H]1O
Parent-child relations graph
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:146737
chebi:146737
N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(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-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)GlcNAc(b1-3)Gal(b1-3)GlcNAc(b1-3)Gal(b1-4)b-Glc
WURCS=2.0/5,8,7/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-2-3-2-4-5/a4-b1_b3-c1_c3-d1_d3-e1_e3-f1_f2-g1_f3-h1