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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 > [(2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r)-5-acetamido-6-[[(2r,3r,4r,5r,6r)-5-acetamido-4-[(2r,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > [(2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r)-5-acetamido-6-[[(2r,3r,4r,5r,6r)-5-acetamido-4-[(2r,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
... > 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 > [(2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r)-5-acetamido-6-[[(2r,3r,4r,5r,6r)-5-acetamido-4-[(2r,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate

Preferred term

[(2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r)-5-acetamido-6-[[(2r,3r,4r,5r,6r)-5-acetamido-4-[(2r,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate  

Type

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

Broader concept

charge

  • 0

formula

  • C34H58N2O28S

inchi

  • InChI=1S/C34H58N2O28S/c1-8-17(42)22(47)24(49)32(56-8)63-29-23(48)18(43)11(4-37)59-34(29)62-27-16(36-10(3)41)30(51)57-14(20(27)45)7-55-31-15(35-9(2)40)21(46)26(13(6-39)60-31)61-33-25(50)28(64-65(52,53)54)19(44)12(5-38)58-33/h8,11-34,37-39,42-51H,4-7H2,1-3H3,(H,35,40)(H,36,41)(H,52,53,54)/t8-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20-,21+,22+,23-,24-,25+,26+,27+,28-,29+,30+,31?,32-,33-,34-/m0/s1

inchikey

  • KRFRMFUYSBHOTA-RRDODFMQSA-N

mass

  • 974.880

monoisotopicmass

  • 974.28968

smiles

  • S(O[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]2CO)OC[C@H]3O[C@@H](O)[C@H](NC(=O)C)[C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)CO)[C@H]3O)O[C@@H]([C@@H]1O)CO)(O)(=O)=O

subset

  • 2_STAR

synonym RELATED

  • 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->3)-[3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-galacto-hexopyranose
  • Fuc(a1-2)Gal(b1-3)[Gal3S(b1-4)GlcNAc(?1-6)]b-GalNAc
  • WURCS=2.0/5,5,4/[a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5_3*OSO/3=O/3=O]/1-2-3-4-5/a3-b1_a6-d1_b2-c1_d4-e1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:157316

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