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Concept information

Preferred term

8 oxo dATP(4)  

Type

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

charge

  • -4

formula

  • C10H12N5O13P3

inchi

  • InChI=1S/C10H16N5O13P3/c11-8-7-9(13-3-12-8)15(10(17)14-7)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,14,17)(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,5+,6+/m0/s1

inchikey

  • KQEYPBIHTGDPHF-KVQBGUIXSA-J

mass

  • 503.151

monoisotopicmass

  • 502.96664

smiles

  • NC1=NC=NC2=C1NC(N2[C@@H]3O[C@H](COP(=O)(OP(=O)(OP(=O)([O-])[O-])[O-])[O-])[C@@H](O)C3)=O

subset

  • 2_STAR

synonym EXACT

  • ({[(2R,3S,5R)-5-(6-amino-8-oxo-8,9-dihydro-7H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:172871

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