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TNP-ATP(5-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_50105

An organophosphate oxoanion arising from deprotonation of the triphosphate OH groups of TNP-ATP.

Term info

Label

TNP-ATP(5-)

Synonyms
  • 2',3'-O-(2,4,6-trinitrocyclohexadienide-1,1-diyl)adenosine 5'-triphosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
2',3'-O-(2,4,6-trinitrocyclohexadienide-1,1-diyl)adenosine 5'-triphosphate [ IUPAC ]

charge

-5

formula

C16H12N8O19P3

has obo namespace

chebi_ontology

id

CHEBI:50105

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

mass

713.23000

monoisotopicmass

712.94590

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