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Revision as of 13:20, 24 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 456594653 of page N-Acetylglutamic_acid for the Chem/Drugbox validation project (updated: 'DrugBank', 'ChEBI', 'KEGG', 'CASNo').← Previous edit Revision as of 13:21, 24 November 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 453568185 of page N-Acetylneuraminic_acid for the Chem/Drugbox validation project (updated: '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
| verifiedrevid = 400318812 | verifiedrevid = 453566528
| Name=''N''-Acetylglutamic acid | Name=''N''-Acetylneuraminic acid
| ImageFile = N-Acetylglutamic acid.png | ImageFile = N-Acetylneuraminic acid.svg
| ImageSize =
| IUPACName = 2-Acetamidopentanedioic acid
| IUPACName = 5-(acetylamino)-3,5-dideoxy-<small>D</small>-''glycero''-α-<small>D</small>-''galacto''-non-2-ulopyranosonic acid
| OtherNames = Acetylglutamic acid<br />
| OtherNames =
''N''-Acetylglutamic acid
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
⚫ | CASNo = 131-48-6
| Abbreviations = ''N''-Acetyl-Glu<br />
| ChEBI = 61599
NAcGlu<br />
⚫ | PubChem = 439197
Ac-Glu-OH
| SMILES1 = O=C(NC(C(=O)O)CCC(=O)O)C | SMILES = OC(=O)1(O)C(O)(NC(C)=O)(O1)(O)(O)CO
⚫ | MeSHName = N-Acetylneuraminic+Acid
| CASNo_Ref = {{cascite|correct|??}}
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| CASNo = <!-- blanked - oldvalue: 5817-08-3 -->
⚫ | ChemSpiderID = 392681
| CASNo1 = 1188-37-0
| InChI = 1/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1
| CASNo1_Comment = (2''S'')
| InChIKey = SQVRNKJHWKZAKO-YRMXFSIDBI
| CASNo2 = 19146-55-5
| CASNo2_Comment = (2''R'')
⚫ | PubChem = 185
| PubChem_Ref = {{pubchemcite|correct|??}}
| PubChem2 = 1560015
| PubChem2_Comment = (2''R'')
| PubChem2_Ref = {{pubchemcite|correct|??}}
| PubChem1 = 70914
| PubChem1_Comment = (2''S'')
| PubChem1_Ref = {{pubchemcite|correct|??}}
⚫ | ChemSpiderID = 180
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID2 = 1272049
| ChemSpiderID2_Comment = (2''R'')
| ChemSpiderID2_Ref = {{chemspidercite|correct|ChemSpider}}
| ChemSpiderID1 = 64077
| ChemSpiderID1_Comment = (2''S'')
| ChemSpiderID1_Ref = {{chemspidercite|correct|ChemSpider}}
⚫ | EINECS = 227-388-6
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = <!-- blanked - oldvalue: DB04075 -->
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = <!-- blanked - oldvalue: C00624 -->
⚫ | MeSHName = N-acetylglutamate
| ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = <!-- blanked - oldvalue: 17533 -->
| SMILES = CC(=O)NC(CCC(O)=O)C(O)=O
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13) | StdInChI = 1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = RFMMMVDNIPUKGG-UHFFFAOYSA-N | StdInChIKey = SQVRNKJHWKZAKO-YRMXFSIDSA-N
| 3DMet = B00147}} }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C=7|H=11|N=1|O=5 |C=11|H=19|N=1|O=9
| Appearance = | MolarMass = 309.273 g/mol
| Density = 1 g/cm<sup>3</sup> | ExactMass = 309.105981
| MeltingPt = 191 - 194 °C | Appearance = White crystalline powder
| Density =
| MeltingPt = 186°C (decomposes)
| BoilingPt = | BoilingPt =
⚫ | Solubility = 36 g/l
}} }}
| Section3 = {{Chembox Hazards | Section3 = {{Chembox Hazards
⚫ | Solubility =
| MainHazards = | MainHazards =
| FlashPt = | FlashPt =

Revision as of 13:21, 24 November 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 453568185 of page N-Acetylneuraminic_acid with values updated to verified values.
N-Acetylneuraminic acid
Names
IUPAC name 5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosonic acid
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChemSpider
MeSH N-Acetylneuraminic+Acid
PubChem CID
InChI
  • InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1Key: SQVRNKJHWKZAKO-YRMXFSIDSA-N
  • InChI=1/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1Key: SQVRNKJHWKZAKO-YRMXFSIDBI
SMILES
  • OC(=O)1(O)C(O)(NC(C)=O)(O1)(O)(O)CO
Properties
Chemical formula C11H19NO9
Molar mass 309.273 g/mol
Appearance White crystalline powder
Melting point 186°C (decomposes)
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