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Revision as of 18:49, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 449577427 of page A-372,159 for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 18:51, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 477226241 of page Adenosine_triphosphate for the Chem/Drugbox validation project (updated: '').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|drugbox}}) taken from revid of page ] with values updated to verified values.}} {{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{Drugbox {{chembox
| verifiedrevid = 399345932 | verifiedrevid = 477002632
| Name = Adenosine triphosphate
| IUPAC_name = (11''S'',16''R'')-3--6-oxa-10,14-diazatetracycloheptadeca-1,3,5(17)-triene
| ImageFile = Adenosintriphosphat protoniert.svg
| image = A-372,159_structure.png
| ImageName = Skeletal formula of ATP
| width = 220
| ImageFile1 = ATP-xtal-3D-balls.png

| ImageName1 = Ball-and-stick model, based on x-ray diffraction data
<!--Clinical data-->
| ImageFile2 = Atp exp.qutemol-ball.png
| tradename =
| legal_status = | ImageSize2 = 180px
| ImageName2 = Space-filling model with hydrogen atoms omitted
| routes_of_administration =
| IUPACName =<nowiki></nowiki>methyl(hydroxyphosphonooxyphosphoryl)hydrogen phosphate

| OtherNames = adenosine 5'-(tetrahydrogen triphosphate)
<!--Pharmacokinetic data-->
| Section1 = {{Chembox Identifiers
| metabolism =
| UNII_Ref = {{fdacite|correct|FDA}}
| elimination_half-life =
| excretion = | UNII = 8L70Q75FXE
| InChI = 1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
<!--Identifiers-->
| CAS_number = | DrugBank = DB00171
| ChEBI_Ref = {{ebicite|correct|EBI}}
⚫ | PubChem =
| ChEBI = 15422
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| KEGG_Ref = {{keggcite|correct|kegg}}
⚫ | ChemSpiderID = 9605283
| KEGG = C00002

| SMILES = O=P(O)(O)OP(=O)(O)OP(=O)(O)OC3O(n2cnc1c(ncnc12)N)(O)3O
<!--Chemical data-->
| InChIKey = ZKHQWZAMYRWXGA-KQYNXXCUBG
| C=24 | H=27 | F=3 | N=2 | O=2
⚫ | PubChem = 5957
| molecular_weight = 432.478 g/mol
| IUPHAR_ligand = 1713
| smiles = FC(F)(F)c2cc(OC(C)C)ccc2-c(cc3OCCC4)cc1c3N4C5CCNCC15
| SMILES1 = c1nc(c2c(n1)n(cn2)3(((O3)CO(=O)(O)O(=O)(O)OP(=O)(O)O)O)O)N
| InChI = 1/C24H27F3N2O2/c1-14(2)31-16-4-5-17(20(12-16)24(25,26)27)15-10-18-19-13-28-7-6-21(19)29-8-3-9-30-22(11-15)23(18)29/h4-5,10-12,14,19,21,28H,3,6-9,13H2,1-2H3/t19-,21-/m0/s1
| InChIKey = LADKOBQJOCFCQU-FPOVZHCZBZ
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C24H27F3N2O2/c1-14(2)31-16-4-5-17(20(12-16)24(25,26)27)15-10-18-19-13-28-7-6-21(19)29-8-3-9-30-22(11-15)23(18)29/h4-5,10-12,14,19,21,28H,3,6-9,13H2,1-2H3/t19-,21-/m0/s1 | StdInChI = 1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = LADKOBQJOCFCQU-FPOVZHCZSA-N | StdInChIKey = ZKHQWZAMYRWXGA-KQYNXXCUSA-N
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 56-65-5
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 14249
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 5742
}}
| Section2 = {{Chembox Properties
| C=10|H=16|N=5|O=13|P=3
| MolarMass = 507.18 g/mol
| MeltingPt = 187 °C (disodium salt) <br> ''decomposes''
| Density = 1.04 g/cm<sup>3</sup> (disodium salt)
| pKa = 6.5
}}
}} }}

Revision as of 18:51, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 477226241 of page Adenosine_triphosphate with values updated to verified values.
Adenosine triphosphate
Skeletal formula of ATP
Ball-and-stick model, based on x-ray diffraction data
Space-filling model with hydrogen atoms omitted
Names
IUPAC name methyl(hydroxyphosphonooxyphosphoryl)hydrogen phosphate
Other names adenosine 5'-(tetrahydrogen triphosphate)
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
DrugBank
IUPHAR/BPS
KEGG
PubChem CID
UNII
InChI
  • InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1Key: ZKHQWZAMYRWXGA-KQYNXXCUSA-N
  • InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1Key: ZKHQWZAMYRWXGA-KQYNXXCUBG
SMILES
  • O=P(O)(O)OP(=O)(O)OP(=O)(O)OC3O(n2cnc1c(ncnc12)N)(O)3O
  • c1nc(c2c(n1)n(cn2)3(((O3)CO(=O)(O)O(=O)(O)OP(=O)(O)O)O)O)N
Properties
Chemical formula C10H16N5O13P3
Molar mass 507.18 g/mol
Density 1.04 g/cm (disodium salt)
Melting point 187 °C (disodium salt)
decomposes
Acidity (pKa) 6.5
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound