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Revision as of 12:33, 15 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 473697840 of page Sulfamic_acid for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 12:33, 15 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 474054531 of page Coenzyme_A for the Chem/Drugbox validation project (updated: 'ChEMBL', 'ChEBI').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
| Verifiedfields = changed | Verifiedfields = changed
| verifiedrevid = 417637524 | verifiedrevid = 460106287
| Name = Sulfamic acid | ImageFile = Coenzym A.svg
⚫ | ImageSize = 350px
| ImageFile = Zwitterion Structural Formulae V.1.svg
⚫ | ImageFile2 = Coenzyme-A-3D-balls.png
⚫ | ImageSize = 220px
| ImageSize2 = 350px
| ImageName = Tautomerism of sulfamic acid
⚫ | IUPACName =
⚫ | ImageFileL1 = Sulfamic-acid-3D-balls.png
| ImageSizeL1 = 110px | OtherNames =
| ImageNameL1 = Ball-and-stick model of the canonical neutral form
| ImageFileR1 = Sulfamic-acid-zwitterion-3D-balls.png
| ImageSizeR1 = 110px
| ImageNameR1 = Ball-and-stick model of the zwitterionic form
⚫ | IUPACName = Sulfamic acid
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 5767 | ChemSpiderID = 6557
⚫ | ChEMBL_Ref = {{ebicite|changed|EBI}}
| PubChem = 5987
| ChEMBL = <!-- blanked - oldvalue: 1213327 -->
| InChI = 1/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
| InChIKey = IIACRCGMVDHOTQ-UHFFFAOYAK
| ChEBI_Ref = {{ebicite|changed|EBI}} | ChEBI_Ref = {{ebicite|changed|EBI}}
| ChEBI = 9330 | ChEBI = <!-- blanked - oldvalue: 15346 -->
⚫ | UNII_Ref = {{fdacite|correct|FDA}}
| SMILES = O=S(=O)(O)N
| UNII = SAA04E81UX
⚫ | ChEMBL_Ref = {{ebicite|correct|EBI}}
| InChI = 1/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16?,20-/m1/s1
| ChEMBL = 68253
| InChIKey = RGJOEKWQDUBAIZ-DRCCLKDXBU
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16?,20-/m1/s1
| StdInChI = 1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = IIACRCGMVDHOTQ-UHFFFAOYSA-N | StdInChIKey = RGJOEKWQDUBAIZ-DRCCLKDXSA-N
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 5329-14-6 | CASNo = 85-61-0
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
| UNNumber = 2967 | PubChem = 6816
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| EINECS = 226-218-8
| RTECS = WO5950000 | DrugBank = DB01992
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = C00010
| SMILES = O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC3O(n2cnc1c(ncnc12)N)(O)3OP(=O)(O)O
| MeSHName = Coenzyme+A
}} }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| Formula = H<sub>3</sub>NSO<sub>3</sub> | Formula = C<sub>21</sub>H<sub>36</sub>N<sub>7</sub>O<sub>16</sub>P<sub>3</sub>S
| MolarMass = 97.10 g/mol | MolarMass = 767.535
| MeltingPt = 205 °C decomp. | Appearance =
| Density = 2.15 g/cm<sup>3</sup> | Density =
| MeltingPt =
| Solubility = moderate, with slow hydrolysis
| BoilingPt =
| pKa = 1.0<ref>{{cite doi|10.1039/JR9600004236}}</ref>
}} }}
| Section7 = {{Chembox Hazards | Section3 = {{Chembox Hazards
| Solubility =
| ExternalMSDS =
| EUIndex = 016-026-00-0 | MainHazards =
| EUClass = Irritant ('''Xi''') | FlashPt =
| Autoignition =
| RPhrases = {{R36/38}} {{R52/53}}
| SPhrases = {{S2}} {{S26}} {{S28}} {{S61}}
| NFPA-H =
| NFPA-F =
| NFPA-R =
| NFPA-O =
| FlashPt =
}}
| Section8 = {{Chembox Related
| OtherAnions =
| OtherCations = ]
| OtherFunctn =
| Function =
| OtherCpds =
}} }}
}} }}

Revision as of 12:33, 15 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 474054531 of page Coenzyme_A with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
DrugBank
KEGG
MeSH Coenzyme+A
PubChem CID
UNII
InChI
  • InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16?,20-/m1/s1Key: RGJOEKWQDUBAIZ-DRCCLKDXSA-N
  • InChI=1/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16?,20-/m1/s1Key: RGJOEKWQDUBAIZ-DRCCLKDXBU
SMILES
  • O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC3O(n2cnc1c(ncnc12)N)(O)3OP(=O)(O)O
Properties
Chemical formula C21H36N7O16P3S
Molar mass 767.535
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound