P(1),P(4)-bis(5'-adenosyl) tetraphosphate (Q27102391)

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chemical compound

(ppA)2
A(5')p4(5')A
bis(5'-adenylyl) diphosphate
Adenosine-(5')-tetraphospho-(5')-adenosine
5',5'''-Diadenosine tetraphosphate
Diadenosine 5',5'''-P1,P4-tetraphosphate
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy})phosphinic acid
P1,P4-Di(adenosin-5'-yl)tetraphosphate
Adenosine 5'-tetraphosphate, 5'-ester with adenosine
P1,P4-Diadenosine-5'-tetraphosphate

Language	Label	Description	Also known as
English	P(1),P(4)-bis(5'-adenosyl) tetraphosphate	chemical compound	(ppA)2 A(5')p4(5')A bis(5'-adenylyl) diphosphate Adenosine-(5')-tetraphospho-(5')-adenosine 5',5'''-Diadenosine tetraphosphate Diadenosine 5',5'''-P1,P4-tetraphosphate {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy})phosphinic acid P1,P4-Di(adenosin-5'-yl)tetraphosphate Adenosine 5'-tetraphosphate, 5'-ester with adenosine P1,P4-Diadenosine-5'-tetraphosphate

Statements

type of chemical entity

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purine nucleotides

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image of molecular model or crystal lattice model

P(1),P(4)-bis(5'-adenosyl) tetraphosphate.png
1,740 × 635; 229 KB

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836.048±0 dalton

1 reference

language of work or name

Diadenosine tetraphosphate (English)

19 October 2016

chemical formula

C₂₀H₂₈N₁₀O₁₉P₄

1 reference

language of work or name

Diadenosine tetraphosphate (English)

19 October 2016

canonical SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O)O)O

1 reference

language of work or name

Diadenosine tetraphosphate (English)

19 October 2016

isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)O)O

1 reference

language of work or name

Diadenosine tetraphosphate (English)

19 October 2016

Escherichia coli

1 reference

A comprehensive genome-scale reconstruction of Escherichia coli metabolism--2011.

2 references

Recon 2.2: from reconstruction to model of human metabolism

A community-driven global reconstruction of human metabolism.

subject has role

platelet aggregation inhibitors

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

Identifiers

InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1

1 reference

language of work or name

Diadenosine tetraphosphate (English)

19 October 2016

YOAHKNVSNCMZGQ-XPWFQUROSA-N

2 references

language of work or name

Diadenosine tetraphosphate (English)

19 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

language of work or name

P(1),P(4)-bis(5'-adenosyl) tetraphosphate (English)

19 October 2016

YOAHKNVSNCMZGQ-XPWFQUROSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=5542-28-9

1 reference

language of work or name

P(1),P(4)-bis(5'-adenosyl) tetraphosphate (English)

19 October 2016

2 references

language of work or name

Diadenosine tetraphosphate (English)

19 October 2016

matched by identifier from

YOAHKNVSNCMZGQ-XPWFQUROSA-N

mapping relation type

2 references

language of work or name

P(1),P(4)-bis(5'-adenosyl) tetraphosphate (English)

19 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1

1 reference

language of work or name

DIADENOSINE TETRAPHOSPHATE (English)

19 October 2016

UniChem compound ID

1 reference

DSSTox substance ID

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

YOAHKNVSNCMZGQ-XPWFQUROSA-N

DSSTOX compound identifier

0 references

MeSH descriptor ID

1 reference

Medical Subject Headings

MeSH descriptor ID

14 March 2018

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

YOAHKNVSNCMZGQ-XPWFQUROSA-N

Probes And Drugs ID

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0 references

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PDB structure ID

1 reference

Protein Data Bank

PDB structure ID

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3I7V (English)

19 October 2016

1 reference

Protein Data Bank

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4I5V (English)

19 October 2016

1 reference

Protein Data Bank

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2E20 (English)

19 October 2016

1 reference

Protein Data Bank

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3LOO (English)

19 October 2016

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Protein Data Bank

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2ZT5 (English)

19 October 2016

1 reference

Protein Data Bank

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2XJC (English)

19 October 2016

1 reference

Protein Data Bank

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3A74 (English)

19 October 2016

1 reference

Protein Data Bank

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2C9Y (English)

19 October 2016

1 reference

Protein Data Bank

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2C95 (English)

19 October 2016

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Protein Data Bank

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3RSF (English)

19 October 2016

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Protein Data Bank

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2C05 (English)

19 October 2016

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Protein Data Bank

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2E1Z (English)

19 October 2016

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Protein Data Bank

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3L2B (English)

19 October 2016

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Protein Data Bank

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3BHO (English)

19 October 2016

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Protein Data Bank

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2ZXF (English)

19 October 2016

1 reference

Protein Data Bank

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3RQX (English)

19 October 2016

1 reference

based on heuristic

inferred by common MeSH mappings on source and on Wikidata

25 May 2023

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