TNP-ATP (CHEBI:50104)

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CHEBI:50104 - TNP-ATP

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ChEBI ID	CHEBI:50104
ChEBI Name	TNP-ATP
Stars
Definition	A sprioketal resulting from the formal condensation of the 2'- and 3'- hydroxy groups of ATP with picric acid.
Last Modified	26 February 2013
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C16H17N8O19P3
Net Charge	0
Average Mass	718.271
Monoisotopic Mass	717.98228
SMILES	Nc1ncnc2c1ncn2[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-])=CC([N+](=O)[O-])=CC3[N+](=O)[O-]
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

Roles Classification

Biological Role:

antagonist Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances.

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
Incoming Relation(s)	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	Source
2',3'-O-(2,4,6-trinitrophenyl)-ATP	ChEBI
2',3'-O-(2,4,6-trinitrophenyl)adenosine 5'-triphosphate	ChEBI
2',3'-O-(2,4,6-trinitro-cyclohexadienylidine)adenosine 5'-triphosphate	ChemIDplus

Registry Numbers	Sources
Reaxys:9747873	Reaxys

Citations