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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > (4s,5r,6r)-5-acetamido-2-[(2r,3s,4r,5r)-5-acetamido-6-[(2r,3s,4s,5r)-2-[[(3r,4r,5s,6r)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(2r,3s,4r,5r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)-4-[(3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > (4s,5r,6r)-5-acetamido-2-[(2r,3s,4r,5r)-5-acetamido-6-[(2r,3s,4s,5r)-2-[[(3r,4r,5s,6r)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(2r,3s,4r,5r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)-4-[(3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > (4s,5r,6r)-5-acetamido-2-[(2r,3s,4r,5r)-5-acetamido-6-[(2r,3s,4s,5r)-2-[[(3r,4r,5s,6r)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(2r,3s,4r,5r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)-4-[(3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Preferred term

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

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C51H85N3O39

inchi

  • InChI=1S/C51H85N3O39/c1-12(61)52-23-15(64)4-51(50(79)80,93-41(23)26(66)16(65)5-55)92-39-21(10-60)86-46(25(54-14(3)63)42(39)90-48-36(76)32(72)28(68)18(7-57)85-48)91-43-30(70)22(87-49(37(43)77)88-38-20(9-59)82-44(78)34(74)33(38)73)11-81-45-24(53-13(2)62)40(29(69)19(8-58)83-45)89-47-35(75)31(71)27(67)17(6-56)84-47/h15-49,55-60,64-78H,4-11H2,1-3H3,(H,52,61)(H,53,62)(H,54,63)(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

inchikey

  • OZYBDJOSQUCUBU-YCSHOMLMSA-N

mass

  • 1364.223

monoisotopicmass

  • 1363.47602

smiles

  • O([C@H]1[C@H](OC2O[C@@H]([C@H](O)[C@H](O)[C@@H]2O)CO)[C@@H](NC(=O)C)C(O[C@@H]1CO)O[C@H]3[C@@H](O)[C@H](OC(O[C@H]4[C@H](O)[C@@H](O)C(O[C@@H]4CO)O)[C@@H]3O)COC5O[C@@H]([C@@H](O)[C@H](OC6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO)[C@H]5NC(=O)C)CO)C7(O[C@H]([C@H](NC(=O)C)[C@@H](O)C7)[C@H](O)[C@H](O)CO)C(O)=O

subset

  • 2_STAR

synonym RELATED

  • D-galacto-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->4)]-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->3)-[D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->6)]-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose
  • Gal(?1-3)[NeuAc(?2-4)]GlcNAc(?1-3)[Gal(?1-3)GlcNAc(?1-6)]Gal(?1-4)Glc
  • WURCS=2.0/4,7,6/[a2122h-1x_1-5][a2112h-1x_1-5][a2122h-1x_1-5_2*NCC/3=O][Aad21122h-2x_2-6_5*NCC/3=O]/1-2-3-2-4-3-2/a4-b1_b3-c1_b6-f1_c3-d1_c4-e2_f3-g1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:150927

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