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TNP-ATP

Go to external page http://purl.obolibrary.org/obo/CHEBI_50104

A sprioketal resulting from the formal condensation of the 2'- and 3'- hydroxy groups of ATP with picric acid.

Term info

Label

TNP-ATP

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

3_STAR

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

charge

0

formula

C16H17N8O19P3

has obo namespace

chebi_ontology

has related synonym

2',3'-O-(2,4,6-trinitrophenyl)-ATP, 2',3'-O-(2,4,6-trinitro-cyclohexadienylidine)adenosine 5'-triphosphate, 2',3'-O-(2,4,6-trinitrophenyl)adenosine 5'-triphosphate

id

CHEBI:50104

inchi

InChI=1S/C16H17N8O19P3/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/h1-2,4-5,7-8,11-12,15H,3H2,(H,34,35)(H,36,37)(H2,17,18,19)(H2,31,32,33)/t7-,8?,11-,12-,15-,16?/m1/s1

inchikey

DSFVPALDDWRTFF-DIBLVGDCSA-N

mass

718.26970

monoisotopicmass

717.98228

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