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

Preferred term

(2r,3r,4r)-2-[(3r,4r,5r,6r)-3-acetamido-2-hydroxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4-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

  • C14H21NO21S3

inchi

  • InChI=1S/C14H21NO21S3/c1-3(16)15-5-9(8(35-38(25,26)27)4(32-13(5)21)2-31-37(22,23)24)33-14-11(36-39(28,29)30)7(18)6(17)10(34-14)12(19)20/h4-5,7-9,11,13-14,17-18,21H,2H2,1H3,(H,15,16)(H,19,20)(H,22,23,24)(H,25,26,27)(H,28,29,30)/t4-,5-,7+,8+,9-,11-,13?,14-/m1/s1

inchikey

  • GMQALDKNVKSRFH-KGOWDALBSA-N

mass

  • 635.490

monoisotopicmass

  • 634.97682

smiles

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

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/2,2,1/[a2112h-1x_1-5_2*NCC/3=O_4*OSO/3=O/3=O_6*OSO/3=O/3=O][a21EEA-1a_1-5_2*OSO/3=O/3=O]/1-2/a3-b1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:149103

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