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CHEBI:50105 - TNP-ATP5−

ChEBI IDCHEBI:50105
ChEBI NameTNP-ATP5−
Stars
ASCII NameTNP-ATP(5-)
DefinitionAn organophosphate oxoanion arising from deprotonation of the triphosphate OH groups of TNP-ATP.
Last Modified14 February 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H12N8O19P3
Net Charge-5
Average Mass713.231
Monoisotopic Mass712.94590
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@H]2OC3(O[C@H]21)C([N+](=O)[O-])=C[C-]([N+](=O)[O-])C=C3[N+](=O)[O-]
InChIInChI=1S/C16H16N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7,11-12,15H,3H2,(H,34,35)(H,36,37)(H2,17,18,19)(H2,31,32,33)/q-1/p-4/t7-,11-,12-,15-/m1/s1
InChIKeySRBOSGVHTINDAV-UHEGPQQHSA-J
ChEBI Ontology
Outgoing Relation(s)
TNP-ATP5− (CHEBI:50105) has functional parent ATP(4−) (CHEBI:30616)
TNP-ATP5− (CHEBI:50105) is a organophosphate oxoanion (CHEBI:58945)
TNP-ATP5− (CHEBI:50105) is conjugate base of TNP-ATP (CHEBI:50104)
Incoming Relation(s)
TNP-ATP (CHEBI:50104) is conjugate acid of TNP-ATP5− (CHEBI:50105)
IUPAC Name 
2',3'-O-(2,4,6-trinitrocyclohexadienide-1,1-diyl)adenosine 5'-triphosphate
Registry NumbersSources
CAS:61368-63-6ChemIDplus