CHEBI:50104 - TNP-ATP

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ChEBI Name TNP-ATP
ChEBI ID CHEBI:50104
Definition A sprioketal resulting from the formal condensation of the 2'- and 3'- hydroxy groups of ATP with picric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H17N8O19P3
Net Charge 0
Average Mass 718.26970
Monoisotopic Mass 717.98228
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
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
Roles Classification
Biological Role(s): antagonist
Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing TNP-ATP (CHEBI:50104) has functional parent ({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-purin-9-yl)oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate (CHEBI:237958)
TNP-ATP (CHEBI:50104) has functional parent ATP (CHEBI:15422)
TNP-ATP (CHEBI:50104) has functional parent picric acid (CHEBI:46149)
TNP-ATP (CHEBI:50104) has role antagonist (CHEBI:48706)
TNP-ATP (CHEBI:50104) is a C-nitro compound (CHEBI:35716)
TNP-ATP (CHEBI:50104) is a spiroketal (CHEBI:72600)
TNP-ATP (CHEBI:50104) is conjugate acid of TNP-ATP5− (CHEBI:50105)
Incoming TNP-ATP5− (CHEBI:50105) is conjugate base of TNP-ATP (CHEBI:50104)
IUPAC Name
2',3'-O-(2,4,6-trinitrocyclohexadiene-1,1-diyl)adenosine 5'-(tetrahydrogen triphosphate)
Synonyms Sources
2',3'-O-(2,4,6-trinitro-cyclohexadienylidine)adenosine 5'-triphosphate ChemIDplus
2',3'-O-(2,4,6-trinitrophenyl)-ATP ChEBI
2',3'-O-(2,4,6-trinitrophenyl)adenosine 5'-triphosphate ChEBI
Registry Numbers Types Sources
9747873 Reaxys Registry Number Reaxys
9747873 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
17481842 PubMed citation Europe PMC
20953624 PubMed citation Europe PMC
21172361 PubMed citation Europe PMC
Last Modified
26 February 2013