CHEBI:50105 - TNP-ATP5−

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ChEBI Name TNP-ATP5−
ChEBI ID CHEBI:50105
ChEBI ASCII Name TNP-ATP(5-)
Definition An organophosphate oxoanion arising from deprotonation of the triphosphate OH groups of TNP-ATP.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H12N8O19P3
Net Charge -5
Average Mass 713.23000
Monoisotopic Mass 712.94590
InChI InChI=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
InChIKey SRBOSGVHTINDAV-UHEGPQQHSA-J
SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@H]2OC3(O[C@@H]12)C(=C[C-](C=C3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
ChEBI Ontology
Outgoing 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 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 Number Type Source
61368-63-6 CAS Registry Number ChemIDplus
Last Modified
14 February 2011