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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organophosphate oxoanion > 3'-phosphonato-5'-adenylyl sulfate(4-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organophosphate oxoanion > 3'-phosphonato-5'-adenylyl sulfate(4-)
... > chemical entity > molecular entity > ion > anion > organic anion > organosulfate oxoanion > 3'-phosphonato-5'-adenylyl sulfate(4-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organosulfate oxoanion > 3'-phosphonato-5'-adenylyl sulfate(4-)

Preferred term

3'-phosphonato-5'-adenylyl sulfate(4-)  

Type

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

charge

  • -4

formula

  • C10H11N5O13P2S

inchi

  • InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/p-4/t4-,6-,7-,10-/m1/s1

inchikey

  • GACDQMDRPRGCTN-KQYNXXCUSA-J

is_conjugate_base_of

mass

  • 503.23300

monoisotopicmass

  • 502.95712

smiles

  • Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OS([O-])(=O)=O)[C@@H](OP([O-])([O-])=O)[C@H]1O

subset

  • 3_STAR

synonym EXACT

  • 3'-O-phosphonato-5'-O-[(sulfonatooxy)phosphinato]adenosine

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:58339

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