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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,4s,5r,6r)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2s,3s,4r,5r,6r)-6-[(2s,3r,4r,5r)-2,5-bis(hydroxymethyl)-4-sulfooxyoxolan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-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 > (2r,3s,4s,5r,6r)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2s,3s,4r,5r,6r)-6-[(2s,3r,4r,5r)-2,5-bis(hydroxymethyl)-4-sulfooxyoxolan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-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 > (2r,3s,4s,5r,6r)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2s,3s,4r,5r,6r)-6-[(2s,3r,4r,5r)-2,5-bis(hydroxymethyl)-4-sulfooxyoxolan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Preferred term

(2r,3s,4s,5r,6r)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2s,3s,4r,5r,6r)-6-[(2s,3r,4r,5r)-2,5-bis(hydroxymethyl)-4-sulfooxyoxolan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C26H41NO28S2

inchi

  • InChI=1S/C26H41NO28S2/c1-5(30)27-9-10(31)16(50-25-14(35)11(32)12(33)20(53-25)22(37)38)8(4-47-56(41,42)43)49-24(9)52-19-13(34)15(36)26(54-21(19)23(39)40)51-17-6(2-28)48-7(3-29)18(17)55-57(44,45)46/h6-21,24-26,28-29,31-36H,2-4H2,1H3,(H,27,30)(H,37,38)(H,39,40)(H,41,42,43)(H,44,45,46)/t6-,7+,8+,9+,10+,11-,12-,13+,14+,15+,16+,17+,18+,19-,20+,21-,24-,25+,26+/m0/s1

inchikey

  • NBRJOLQMGTWYPH-WIYCEQSQSA-N

mass

  • 879.710

monoisotopicmass

  • 879.12565

smiles

  • S(O[C@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)[C@H](O)[C@H]3NC(=O)C)COS(O)(=O)=O)[C@H](O)[C@H]2O)C(O)=O)[C@@H](O[C@@H]1CO)CO)(O)(=O)=O

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/4,4,3/[h1122h_2-5_3*OSO/3=O/3=O][a2122A-1b_1-5][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a2121A-1a_1-5]/1-2-3-4/a4-b1_b4-c1_c4-d1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:154586

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