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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 > guadecitabine

Preferred term

guadecitabine  

Type

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

Broader concept

charge

  • 0

formula

  • C18H24N9O10P

inchi

  • InChI=1S/C18H24N9O10P/c19-16-22-6-27(18(31)25-16)12-2-8(9(3-28)35-12)37-38(32,33)34-4-10-7(29)1-11(36-10)26-5-21-13-14(26)23-17(20)24-15(13)30/h5-12,28-29H,1-4H2,(H,32,33)(H2,19,25,31)(H3,20,23,24,30)/t7-,8-,9+,10+,11+,12+/m0/s1

inchikey

  • GUWXKKAWLCENJA-WGWHJZDNSA-N

mass

  • 557.417

monoisotopicmass

  • 557.13838

smiles

  • C1[C@@]([H])([C@](COP(O)(=O)O[C@]2(C[C@]([H])(N3C=NC(=N)N=C3O)O[C@@]2(CO)[H])[H])([H])O[C@@]1([H])N4C=NC5=C4NC(=N)N=C5O)O

subset

  • 2_STAR

synonym RELATED

  • 2KT4YN1DP7
  • [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
  • SGI-110

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:231603

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