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

Preferred term

[(2r,3s,4r,5r)-5-acetamido-6-[[(2r,3r,4r,5r,6s)-5-acetamido-4-[(3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-[(3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 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(41)22(46)25(49)32(57-8)64-29-24(48)19(43)12(5-38)60-34(29)63-28-16(36-10(3)40)30(51)58-13(20(28)44)6-55-31-15(35-9(2)39)21(45)27(14(61-31)7-56-65(52,53)54)62-33-26(50)23(47)18(42)11(4-37)59-33/h8,11-34,37-38,41-51H,4-7H2,1-3H3,(H,35,39)(H,36,40)(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

  • MKMIOZXMXARQKY-LUKTVDENSA-N

mass

  • 974.880

monoisotopicmass

  • 974.28968

smiles

  • S(OC[C@H]1OC(OC[C@H]2O[C@H](O)[C@H](NC(=O)C)[C@@H](OC3O[C@@H]([C@H](O)[C@H](O)[C@H]3OC4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)CO)[C@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1OC5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)(O)(=O)=O

subset

  • 2_STAR

synonym RELATED

  • 6-deoxy-L-galacto-hexopyranosyl-(1->2)-D-galacto-hexopyranosyl-(1->3)-[D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfo-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
  • Fuc(?1-2)Gal(?1-3)[Gal(?1-4)GlcNAc6S(?1-6)]a-GalNAc
  • WURCS=2.0/4,5,4/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1x_1-5][a1221m-1x_1-5][a2122h-1x_1-5_2*NCC/3=O_6*OSO/3=O/3=O]/1-2-3-4-2/a3-b1_a6-d1_b2-c1_d4-e1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:157500

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