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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 > carbohydrate derivative > o-acyl carbohydrate > (2r,3s,4s,5r)-4,6-dihydroxy-3-[(2r,3r,4r,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-(sulfoamino)-4-sulfooxyoxan-2-yl]oxy-5-sulfooxyoxane-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 > carbohydrate derivative > o-acyl carbohydrate > (2r,3s,4s,5r)-4,6-dihydroxy-3-[(2r,3r,4r,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-(sulfoamino)-4-sulfooxyoxan-2-yl]oxy-5-sulfooxyoxane-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 > carbohydrate derivative > o-acyl carbohydrate > (2r,3s,4s,5r)-4,6-dihydroxy-3-[(2r,3r,4r,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-(sulfoamino)-4-sulfooxyoxan-2-yl]oxy-5-sulfooxyoxane-2-carboxylic acid

Preferred term

(2r,3s,4s,5r)-4,6-dihydroxy-3-[(2r,3r,4r,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-(sulfoamino)-4-sulfooxyoxan-2-yl]oxy-5-sulfooxyoxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C12H21NO20S3

inchi

  • InChI=1S/C12H21NO20S3/c14-1-2-4(15)6(32-35(23,24)25)3(13-34(20,21)22)12(29-2)31-7-5(16)8(33-36(26,27)28)11(19)30-9(7)10(17)18/h2-9,11-16,19H,1H2,(H,17,18)(H,20,21,22)(H,23,24,25)(H,26,27,28)/t2-,3-,4-,5+,6-,7+,8-,9-,11?,12-/m1/s1

inchikey

  • SWEODCAYHXGBIO-SCSNUHKFSA-N

mass

  • 595.470

monoisotopicmass

  • 594.98191

smiles

  • S(O)(=O)(=O)N[C@@H]1[C@@H](OS(O)(=O)=O)[C@H](O)[C@H](O[C@@H]1O[C@H]2[C@H](O)[C@@H](OS(O)(=O)=O)C(O[C@H]2C(O)=O)O)CO

subset

  • 2_STAR

synonym RELATED

  • 2-deoxy-3-O-sulfo-2-sulfoamino-alpha-D-gluco-hexopyranosyl-(1->4)-2-O-sulfo-L-ido-hexopyranuronic acid
  • GlcNS3S(a1-4)IdoA2S
  • WURCS=2.0/2,2,1/[a2121A-1x_1-5_2*OSO/3=O/3=O][a2122h-1a_1-5_2*NSO/3=O/3=O_3*OSO/3=O/3=O]/1-2/a4-b1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:154335

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