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Revision as of 14:48, 10 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 402841329 of page Uridine_diphosphate_glucuronic_acid for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 14:49, 10 January 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 464791970 of page Urobilin 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 = 402840353 | verifiedrevid = 449602468
|ImageFile=UDP glucuronic acid.png |ImageFile=I-Urobilin1.svg
|ImageSize=200px |ImageSize=250px
|IUPACName= |IUPACName=
|OtherNames= |OtherNames=
|Section1= {{Chembox Identifiers |Section1= {{Chembox Identifiers
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| InChI = 1/C9H12N2O6.C6H12O13P2/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;7-1-2(18-20(12,13)14)5(19-21(15,16)17)3(8)4(9)6(10)11/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16);1-5,8-9H,(H,10,11)(H2,12,13,14)(H2,15,16,17)/p-4/t4-,6-,7-,8-;2-,3+,4-,5+/m10/s1
⚫ | ChemSpiderID = 4938471
| InChIKey = GIFKDHYZEJQSDD-DNQFPBLIBB
| InChI = 1/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-/t26-,27-/m0/s1
| InChIKey = KDCCOOGTVSRCHX-UYMYUHGCBF
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C9H12N2O6.C6H12O13P2/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;7-1-2(18-20(12,13)14)5(19-21(15,16)17)3(8)4(9)6(10)11/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16);1-5,8-9H,(H,10,11)(H2,12,13,14)(H2,15,16,17)/p-4/t4-,6-,7-,8-;2-,3+,4-,5+/m10/s1 | StdInChI = 1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-/t26-,27-/m0/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = GIFKDHYZEJQSDD-BZYIUNRFSA-J | StdInChIKey = KDCCOOGTVSRCHX-UYMYUHGCSA-N
| CASNo_Ref = {{cascite|correct|??}}
| CASNo = <!-- blanked - oldvalue: 2616-64-0 --> | CASNo = <!-- blanked - oldvalue: 1856-98-0 -->
| PubChem=17473 | PubChem=6433298
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| SMILES = O=C1/C(=C(/CC)(N1)Cc2c(c(c(n2)\C=C3/N=C(\C(=C3CCC(=O)O)C)C/4NC(=O)\C(=C\4C)CC)CCC(=O)O)C)C
⚫ | ChemSpiderID=19951236
| MeSHName=Urobilin
| IUPHAR_ligand = 1784
| SMILES = OC(=O)(O)(O)(OP()()=O)(C=O)OP()()=O.O=C\1NC(=O)N(/C=C/1)2O(CO)(O)2O
| MeSHName=UDP+glucuronic+acid
}} }}
|Section2= {{Chembox Properties |Section2= {{Chembox Properties
| Formula=C<sub>15</sub>H<sub>22</sub>N<sub>2</sub>O<sub>18</sub>P<sub>2</sub> | Formula=C<sub>33</sub>H<sub>42</sub>N<sub>4</sub>O<sub>6</sub>
| MolarMass=580.285 | MolarMass=590.71
| Appearance= | Appearance=
| Density= | Density=

Revision as of 14:49, 10 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 464791970 of page Urobilin with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Identifiers
3D model (JSmol)
ChemSpider
MeSH Urobilin
PubChem CID
InChI
  • InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-/t26-,27-/m0/s1Key: KDCCOOGTVSRCHX-UYMYUHGCSA-N
  • InChI=1/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-/t26-,27-/m0/s1Key: KDCCOOGTVSRCHX-UYMYUHGCBF
SMILES
  • O=C1/C(=C(/CC)(N1)Cc2c(c(c(n2)\C=C3/N=C(\C(=C3CCC(=O)O)C)C/4NC(=O)\C(=C\4C)CC)CCC(=O)O)C)C
Properties
Chemical formula C33H42N4O6
Molar mass 590.71
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