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(2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-acetamido-6-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

PropertiesImageOccurences in reactions
MNX_IDMNXM1113075Image of MNXM1113075
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC51H85N3O39
charge0
mass1363.47602
referencechebi:147166
InChIKeyBYBVAJYPJIIHHJ-GKEWZSOYSA-N
InChIInChI=1S/C51H85N3O39/c1-12(62)52-23-15(65)4-51(50(79)80,92-41(23)26(67)16(66)5-55)93-43-31(72)27(68)17(6-56)83-49(43)90-38-21(10-60)85-46(25(30(38)71)54-14(3)64)91-42-28(69)18(7-57)82-48(36(42)77)88-37-20(9-59)84-45(24(29(37)70)53-13(2)63)87-40-22(11-61)86-47(35(76)33(40)74)89-39-19(8-58)81-44(78)34(75)32(39)73/h15-49,55-61,65-78H,4-11H2,1-3H3,(H,52,62)(H,53,63)(H,54,64)(H,79,80)/t15-,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-,51-/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]4[C@@H](CO)O[C@@H](O[C@@H]5[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](NC(C)=O)[C@H]3O)[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@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@@H]1O
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:147166
chebi:147166
(2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-acetamido-6-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->2)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
NeuAc(a2-2)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GalNAc(b1-4)Gal(b1-4)b-Glc
WURCS=2.0/5,7,6/[a2122h-1b_1-5][a2112h-1b_1-5][a2112h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-4-2-5/a4-b1_b4-c1_c4-d1_d3-e1_e4-f1_f2-g2