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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)-2-(hydroxymethyl)-6-/{6-[(3-methyl-4-/{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy/}butyl)amino]-9h-purin-9-yl/}oxane-3,4,5-triol
... > 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)-2-(hydroxymethyl)-6-/{6-[(3-methyl-4-/{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy/}butyl)amino]-9h-purin-9-yl/}oxane-3,4,5-triol
... > 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)-2-(hydroxymethyl)-6-/{6-[(3-methyl-4-/{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy/}butyl)amino]-9h-purin-9-yl/}oxane-3,4,5-triol

Preferred term

(2r,3s,4s,5r)-2-(hydroxymethyl)-6-/{6-[(3-methyl-4-/{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy/}butyl)amino]-9h-purin-9-yl/}oxane-3,4,5-triol  

Type

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

Broader concept

charge

  • 0

formula

  • C22H35N5O11

inchi

  • InChI=1S/C22H35N5O11/c1-9(6-36-22-18(35)16(33)14(31)11(5-29)38-22)2-3-23-19-12-20(25-7-24-19)27(8-26-12)21-17(34)15(32)13(30)10(4-28)37-21/h7-11,13-18,21-22,28-35H,2-6H2,1H3,(H,23,24,25)/t9?,10-,11-,13-,14-,15+,16+,17-,18-,21?,22+/m1/s1

inchikey

  • KDIRTCPHKDPWMQ-MRVUIOGRSA-N

mass

  • 545.546

monoisotopicmass

  • 545.23331

smiles

  • O1C(N2C3=NC=NC(NCCC(CO[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)C)=C3N=C2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO

subset

  • 2_STAR

synonym EXACT

  • (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[6-[[3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]amino]purin-9-yl]oxane-3,4,5-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:184488

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