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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 > amino sugar > (2r,3r,4r)-2-[(2r,3s,4r,5r)-5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2h-pyran-6-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 > amino sugar > (2r,3r,4r)-2-[(2r,3s,4r,5r)-5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2h-pyran-6-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 > amino sugar > (2r,3r,4r)-2-[(2r,3s,4r,5r)-5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2h-pyran-6-carboxylic acid

Preferred term

(2r,3r,4r)-2-[(2r,3s,4r,5r)-5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2h-pyran-6-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C14H21NO18S2

inchi

  • InChI=1S/C14H21NO18S2/c1-3(16)15-5-6(17)9(4(30-13(5)22)2-29-34(23,24)25)31-14-11(33-35(26,27)28)8(19)7(18)10(32-14)12(20)21/h4-6,8-9,11,13-14,17-19,22H,2H2,1H3,(H,15,16)(H,20,21)(H,23,24,25)(H,26,27,28)/t4-,5-,6-,8+,9-,11-,13?,14-/m1/s1

inchikey

  • HWHNFKDKCCWIGS-DHJMXQCPSA-N

mass

  • 555.430

monoisotopicmass

  • 555.02001

smiles

  • S(OC[C@H]1OC(O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1O[C@@H]2OC(=C(O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)(O)(=O)=O

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/2,2,1/[a2122h-1x_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a21EEA-1a_1-5_2*OSO/3=O/3=O]/1-2/a4-b1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:155264

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