Revision as of 18:51, 16 February 2012 editBeetstra (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: '').← Previous edit |
Latest revision as of 14:25, 29 January 2022 edit undo119.246.116.98 (talk)No edit summary |
(870 intermediate revisions by 8 users not shown) |
Line 1: |
Line 1: |
|
{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} |
|
{{ambox | text = This page contains a copy of the infobox ({{tl|drugbox}}) taken from revid of page ] with values updated to verified values.}} |
|
{{chembox |
|
{{drugbox |
|
| verifiedrevid = 477002632 |
|
| verifiedrevid = 477001424 |
|
|
| IUPAC_name = 2-Oxo-<small>L</small>-threo-hexono-1,4-lactone-2,3-enediol<br />''or''<br />(''R'')-3,4-dihydroxy-5-((''S'')- 1,2-dihydroxyethyl)furan-2(5''H'')-one |
|
| Name = Adenosine triphosphate |
|
|
|
| image = L-Ascorbic_acid.svg |
|
| ImageFile = Adenosintriphosphat protoniert.svg |
|
|
|
| width = 200px |
|
| ImageName = Skeletal formula of ATP |
|
|
| ImageFile1 = ATP-xtal-3D-balls.png |
|
| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png |
|
|
| width2 = 200px |
|
| ImageName1 = Ball-and-stick model, based on x-ray diffraction data |
|
|
|
|
|
| ImageFile2 = Atp exp.qutemol-ball.png |
|
|
|
<!--Clinical data--> |
|
| ImageSize2 = 180px |
|
|
|
| Drugs.com = {{drugs.com|MTM|vitamin_c}} |
|
| ImageName2 = Space-filling model with hydrogen atoms omitted |
|
|
|
| licence_EU = <!-- EMEA requires brand name --> |
|
| IUPACName =<nowiki></nowiki>methyl(hydroxyphosphonooxyphosphoryl)hydrogen phosphate |
|
|
|
| licence_US = <!-- FDA may use generic name --> |
|
| OtherNames = adenosine 5'-(tetrahydrogen triphosphate) |
|
|
|
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X --> |
|
| Section1 = {{Chembox Identifiers |
|
|
|
| pregnancy_US = <!-- A / B / C / D / X --> |
⚫ |
| UNII_Ref = {{fdacite|correct|FDA}} |
|
|
|
| pregnancy_category = A |
⚫ |
| UNII = 8L70Q75FXE |
|
|
|
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 --> |
|
| 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 |
|
|
|
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII --> |
⚫ |
| DrugBank_Ref = {{drugbankcite|correct|drugbank}} |
|
|
|
| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C --> |
⚫ |
| DrugBank = DB00171 |
|
|
|
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V --> |
|
|
| legal_status = general public availability |
|
|
| routes_of_administration = oral |
|
|
|
|
|
<!--Pharmacokinetic data--> |
|
|
| bioavailability = rapid & complete |
|
|
| protein_bound = negligible |
|
|
| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores --> |
|
|
| excretion = renal |
|
|
|
|
|
<!--Identifiers--> |
|
⚫ |
| CASNo_Ref = {{cascite|correct|CAS}} |
|
|
| CAS_number_Ref = {{cascite|correct|??}} |
|
|
| CAS_number = 50-81-7 |
|
|
| ATC_prefix = A |
|
|
| ATC_suffix = 11G |
|
| ChEBI_Ref = {{ebicite|correct|EBI}} |
|
| ChEBI_Ref = {{ebicite|correct|EBI}} |
|
| ChEBI = 15422 |
|
| ChEBI = 29073 |
|
⚫ |
| PubChem = 5785 |
|
⚫ |
| DrugBank_Ref = {{drugbankcite|correct|drugbank}} |
|
⚫ |
| DrugBank = DB00126 |
|
⚫ |
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
|
⚫ |
| ChemSpiderID = 10189562 |
|
|
| NIAID_ChemDB = 002072 |
|
⚫ |
| UNII_Ref = {{fdacite|correct|FDA}} |
|
⚫ |
| UNII = PQ6CK8PD0R |
|
| KEGG_Ref = {{keggcite|correct|kegg}} |
|
| KEGG_Ref = {{keggcite|correct|kegg}} |
|
| KEGG = C00002 |
|
| KEGG = D00018 |
|
⚫ |
| ChEMBL_Ref = {{ebicite|correct|EBI}} |
|
| SMILES = O=P(O)(O)OP(=O)(O)OP(=O)(O)OC3O(n2cnc1c(ncnc12)N)(O)3O |
|
|
|
| ChEMBL = 196 |
|
| InChIKey = ZKHQWZAMYRWXGA-KQYNXXCUBG |
|
|
|
|
⚫ |
| PubChem = 5957 |
|
|
|
<!--Chemical data--> |
|
| IUPHAR_ligand = 1713 |
|
|
|
| chemical_formula = |
|
| SMILES1 = c1nc(c2c(n1)n(cn2)3(((O3)CO(=O)(O)O(=O)(O)OP(=O)(O)O)O)O)N |
|
|
|
| C=6 | H=7 | O=6 |
|
|
| molecular_weight = 176.12 g/] |
|
|
| smiles = C((1C(=C(C(=O)O1)O)O)O)O |
|
|
| InChI = 1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 |
|
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
|
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
|
| 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 |
|
| StdInChI = 1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 |
|
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
|
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
|
| StdInChIKey = ZKHQWZAMYRWXGA-KQYNXXCUSA-N |
|
| StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N |
|
|
| synonyms = <small>L</small>-ascorbic acid |
⚫ |
| CASNo_Ref = {{cascite|correct|CAS}} |
|
|
| CASNo = 56-65-5 |
|
| density = 1.694 |
|
|
| melting_point = 190 |
⚫ |
| ChEMBL_Ref = {{ebicite|correct|EBI}} |
|
|
| ChEMBL = 14249 |
|
| boiling_point = 553 |
⚫ |
| 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 |
|
|
}} |
|
|
}} |
|
}} |