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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > disodium;[(3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2r,3s,4r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate

Preferred term

disodium;[(3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2r,3s,4r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate  

Type

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

Broader concept

charge

  • 0

formula

  • C20H31N4O16P

inchi

  • InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1

inchikey

  • TXCIAUNLDRJGJZ-BILDWYJOSA-N

mass

  • 614.454

monoisotopicmass

  • 614.14727

smiles

  • C/C(=N/[C@@]1([C@@](C[C@@](C(=O)O)(O[C@]1([C@]([C@](CO)([H])O)([H])O)[H])OP(O)(=O)OC[C@]2([H])[C@]([H])([C@]([H])([C@]([H])(N3C=CC(=N)N=C3O)O2)O)O)([H])O)[H])/O

subset

  • 2_STAR

synonym EXACT

  • disodium.[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:228281

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