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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organophosphate oxoanion > l-threonylcarbamoyladenylate(2-)

Preferred term

l-threonylcarbamoyladenylate(2-)  

Type

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

charge

  • -2

formula

  • C15H19N6O11P

inchi

  • InChI=1S/C15H21N6O11P/c1-5(22)7(14(25)26)20-15(27)32-33(28,29)30-2-6-9(23)10(24)13(31-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,13,22-24H,2H2,1H3,(H,20,27)(H,25,26)(H,28,29)(H2,16,17,18)/p-2/t5-,6-,7+,9-,10-,13-/m1/s1

inchikey

  • GHLUPQUHEIJRCU-DWVDDHQFSA-L

mass

  • 490.31870

monoisotopicmass

  • 490.08604

smiles

  • C[C@@H](O)[C@H](NC(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C([O-])=O

subset

  • 3_STAR

synonym EXACT

  • 5'-O-[({[(1S,2R)-1-carboxylato-2-hydroxypropyl]carbamoyl}oxy)phosphinato]adenosine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:73682

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