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Revision as of 18:30, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 471377505 of page 5-Hydroxyindoleacetic_acid for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 18:30, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 444274102 of page 5-Hydroxyisourate for the Chem/Drugbox validation project (updated: 'CASNo').Next edit →
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{{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|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{chembox {{Chembox
| verifiedrevid = 443354802 | verifiedrevid = 443356181
| ImageFile = 5-Hydroxyindolessigsäure (5-HIAA).svg |ImageFile=5-Hydroxyisourate.svg
| ImageSize = 200px |ImageSize=
| IUPACName = 2-(5-Hydroxy-1''H''-indol-3-yl)acetic acid |IUPACName=5-hydroxy-3,7-dihydropurine-2,6,8-trione
| OtherNames = |OtherNames=
| Section1 = {{Chembox Identifiers |Section1= {{Chembox Identifiers
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 1760 | ChemSpiderID = 219288
| KEGG_Ref = {{keggcite|correct|kegg}} | KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = C05635 | KEGG = C11821
| InChI = 1/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) | InChI = 1/C5H4N4O4/c10-2-5(13)1(6-3(11)8-2)7-4(12)9-5/h13H,(H3,6,7,8,9,10,11,12)
| InChIKey = DUUGKQCEGZLZNO-UHFFFAOYAY | InChIKey = LTQYPAVLAYVKTK-UHFFFAOYAS
| SMILES1 = O=C1NC(=O)N/C2=N/C(=O)NC12O
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) | StdInChI = 1S/C5H4N4O4/c10-2-5(13)1(6-3(11)8-2)7-4(12)9-5/h13H,(H3,6,7,8,9,10,11,12)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = DUUGKQCEGZLZNO-UHFFFAOYSA-N | StdInChIKey = LTQYPAVLAYVKTK-UHFFFAOYSA-N
| CASNo = <!-- blanked - oldvalue: 6960-30-1 -->
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
⚫ | PubChem=250388
| CASNo = 54-16-0
⚫ | ChEBI_Ref = {{ebicite|correct|EBI}}
⚫ | PubChem = 1826
⚫ | ChEBI = 18072
| ChEMBL_Ref = {{ebicite|correct|EBI}}
⚫ | SMILES=C12=NC(=O)NC1(C(=O)NC(=O)N2)O
| ChEMBL = 395915
| MeSHName=5-Hydroxyisourate
| ChEBI_Ref = {{ebicite|correct|EBI}}
⚫ | ChEBI = 27823
⚫ | SMILES = c1cc2c(cc1O)c(c2)CC(=O)O
| MeSHName = Hydroxyindoleacetic+Acid
}} }}
| Section2 = {{Chembox Properties |Section2= {{Chembox Properties
| Formula=C<sub>5</sub>H<sub>4</sub>N<sub>4</sub>O<sub>4</sub>
| C=10|H=9|N=1|O=3
| MolarMass=184.11 g/mol
| Appearance =
| Density = | Appearance=
| MeltingPt = | Density=
| BoilingPt = | MeltingPt=
| BoilingPt=
| Solubility=
}} }}
| Section3 = {{Chembox Hazards |Section3= {{Chembox Hazards
| Solubility = | MainHazards=
| MainHazards = | FlashPt=
| FlashPt = | Autoignition=
| Autoignition =
}} }}
}} }}

Revision as of 18:30, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 444274102 of page 5-Hydroxyisourate with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 5-hydroxy-3,7-dihydropurine-2,6,8-trione
Identifiers
3D model (JSmol)
ChEBI
ChemSpider
KEGG
MeSH 5-Hydroxyisourate
PubChem CID
InChI
  • InChI=1S/C5H4N4O4/c10-2-5(13)1(6-3(11)8-2)7-4(12)9-5/h13H,(H3,6,7,8,9,10,11,12)Key: LTQYPAVLAYVKTK-UHFFFAOYSA-N
  • InChI=1/C5H4N4O4/c10-2-5(13)1(6-3(11)8-2)7-4(12)9-5/h13H,(H3,6,7,8,9,10,11,12)Key: LTQYPAVLAYVKTK-UHFFFAOYAS
SMILES
  • C12=NC(=O)NC1(C(=O)NC(=O)N2)O
  • O=C1NC(=O)N/C2=N/C(=O)NC12O
Properties
Chemical formula C5H4N4O4
Molar mass 184.11 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Chemical compound