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Revision as of 10:49, 20 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 430521151 of page Thonzonium_bromide for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').← Previous edit Revision as of 10:51, 20 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 444228533 of page Thymidine_diphosphate_glucose for the Chem/Drugbox validation project (updated: 'ChEMBL', '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 = 430352696 | verifiedrevid = 444227537
| ImageFile = Thonzonium bromide.svg | ImageFile = Thymidine diphosphate glucose.png
| ImageSize = 250px | ImageSize = 200px
| IUPACName = <nowiki>methoxy-oxidophosphoryl] hydrogen phosphate
| IUPACName = ''N''-{2-ethyl}-''N'',''N''-dimethylhexadecan-1-aminium bromide
| OtherNames = | OtherNames = TDP-glucose; dTDP-glucose
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| CASNo = <!-- blanked - oldvalue: 553-08-2 --> | CASNo = <!-- blanked - oldvalue: 2196-62-5 -->
| ChEMBL = 412989
⚫ | CASNo_Ref = {{Cascite|correct|CAS}}
| PubChem = 11102 | PubChem = 25202390
⚫ | ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 15700
| SMILES = CC1=CN(C(=O)NC1=O)2C((O2)COP(=O)(O)OP(=O)(O)O3((((O3)CO)O)O)O)O
| ChEMBL = 412989
| PubChem = 443210
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 10631 | ChemSpiderID = 391476
⚫ | ChEBI_Ref = {{ebicite|correct|EBI}}
| SMILES = .O(c1ccc(cc1)CN(c2ncccn2)CC(CCCCCCCCCCCCCCCC)(C)C)C
| ChEBI = 15700
⚫ | ChEMBL_Ref = {{ebicite|correct|EBI}}
| SMILES = O=C1\C(=C/N(C(=O)N1)2O((O)C2)COP(=O)(O)OP(=O)(O)O3O((O)(O)3O)CO)C
| ChEMBL = <!-- blanked - oldvalue: 1200883 -->
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI=1S/C32H55N4O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30;/h19-25H,5-18,26-29H2,1-4H3;1H/q+1;/p-1 | StdInChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11+,12-,13+,15+/m0/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = WBWDWFZTSDZAIG-UHFFFAOYSA-M | StdInChIKey = YSYKRGRSMLTJNL-URARBOGNSA-N
}} }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C=32|H=55|Br=1|N=4|O=1 | C=16|H=26|N=2|O=16|P=2
| Appearance = | Appearance =
| Density = | Density =
| MeltingPt = | MeltingPt =
| BoilingPt = | BoilingPt =
| Solubility = | Solubility = }}
}}
| Section3 = {{Chembox Hazards | Section3 = {{Chembox Hazards
| MainHazards = | MainHazards =
| FlashPt = | FlashPt =
| Autoignition = | Autoignition = }}
}}
}} }}

Revision as of 10:51, 20 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 444228533 of page Thymidine_diphosphate_glucose with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name methoxy-oxidophosphoryl] hydrogen phosphate
Other names TDP-glucose; dTDP-glucose
Identifiers
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11+,12-,13+,15+/m0/s1Key: YSYKRGRSMLTJNL-URARBOGNSA-N
SMILES
  • O=C1\C(=C/N(C(=O)N1)2O((O)C2)COP(=O)(O)OP(=O)(O)O3O((O)(O)3O)CO)C
Properties
Chemical formula C16H26N2O16P2
Molar mass 564.330 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
Tracking categories (test):
Chemical compound