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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 > amino monosaccharide > hexosamine > n-acyl-hexosamine > (2s,3s,4r,5r,6r)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2s,3r,4s,5r)-2-acetamido-1,4,5-trihydroxy-6-sulfooxyhexan-3-yl]oxy-4,5-dihydroxyoxane-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 > amino sugar > amino monosaccharide > hexosamine > n-acyl-hexosamine > (2s,3s,4r,5r,6r)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2s,3r,4s,5r)-2-acetamido-1,4,5-trihydroxy-6-sulfooxyhexan-3-yl]oxy-4,5-dihydroxyoxane-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 > amino sugar > amino monosaccharide > hexosamine > n-acyl-hexosamine > (2s,3s,4r,5r,6r)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2s,3r,4s,5r)-2-acetamido-1,4,5-trihydroxy-6-sulfooxyhexan-3-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid

Preferred term

(2s,3s,4r,5r,6r)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2s,3r,4s,5r)-2-acetamido-1,4,5-trihydroxy-6-sulfooxyhexan-3-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C22H38N2O23S2

inchi

  • InChI=1S/C22H38N2O23S2/c1-6(26)23-8(3-25)17(12(29)9(28)4-42-48(36,37)38)45-22-16(33)15(32)18(19(47-22)20(34)35)46-21-11(24-7(2)27)14(31)13(30)10(44-21)5-43-49(39,40)41/h8-19,21-22,25,28-33H,3-5H2,1-2H3,(H,23,26)(H,24,27)(H,34,35)(H,36,37,38)(H,39,40,41)/t8-,9+,10+,11+,12-,13-,14+,15+,16+,17+,18-,19-,21-,22+/m0/s1

inchikey

  • SGNNEVGCZBGJNT-AZQDBXNISA-N

mass

  • 762.660

monoisotopicmass

  • 762.13068

smiles

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

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/3,3,2/[h2112h_2*NCC/3=O_6*OSO/3=O/3=O][a2122A-1b_1-5][a2112h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O]/1-2-3/a3-b1_b4-c1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:148247

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