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Revision as of 13:19, 24 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,141 edits Saving copy of the {{chembox}} taken from revid 454451664 of page N-Acetylaspartylglutamic_acid for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').← Previous edit Revision as of 13:19, 24 November 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,141 edits Saving copy of the {{chembox}} taken from revid 453570349 of page N-Acetylgalactosamine for the Chem/Drugbox validation project (updated: 'ChEBI', '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 = 453508811 | verifiedrevid = 453568861
|Name=''N''-Acetylaspartylglutamic acid | Name=''N''-Acetylgalactosamine
|ImageFile=Acetylaspartylglutamic acid.png | ImageFile = acetylgalactosamine.png
|ImageSize=200px | ImageSize = 150px
| IUPACName = 2-(Acetylamino)-2-deoxy-<small>D</small>-galactose
|IUPACName=(2''S'')-2-<nowiki>amino]pentanedioic acid
| OtherNames = GalNAc; 2-Acetamido-2-deoxy-<small>D</small>-galactose; ''N''-Acetylchondrosamine; 2-Acetamido-2-deoxy-<small>D</small>-galactopyranose; ''N''-Acetyl-<small>D</small>-galactosamine
|OtherNames=''N''-Acetyl-1-aspartylglutamic acid; NAAG; Spaglumic acid
|Section1= {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| Abbreviations =
| CASNo = <!-- blanked - oldvalue: 4910-46-7 -->
| CASNo = <!-- blanked - oldvalue: 31022-50-1 -->
| PubChem= 188803
| EINECS =
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| PubChem = 84265
| ChEMBL = <!-- blanked - oldvalue: 1329032 -->
| SMILES = O(C(CO)O(O)1NC(C)=O)1O
| IUPHAR_ligand = 1405
| SMILES= CC(=O)N(CC(=O)O)C(=O)N(CCC(=O)O)C(=O)O
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 164080 | ChemSpiderID = 76020
| InChI = 1/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1 | InChI = 1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1
| InChIKey = OPVPGKGADVGKTG-BQBZGAKWBZ | InChIKey = OVRNDRQMDRJTHS-CBQIKETKBW
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1 | StdInChI = 1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = OPVPGKGADVGKTG-BQBZGAKWSA-N | StdInChIKey = OVRNDRQMDRJTHS-CBQIKETKSA-N
| RTECS =
}}
| MeSHName =
|Section2= {{Chembox Properties
| ChEBI_Ref = {{ebicite|correct|EBI}}
| Formula=C<sub>11</sub>H<sub>16</sub>N<sub>2</sub>O<sub>8</sub>
| ChEBI = 40356
| MolarMass=304.25 g/mol
| KEGG_Ref = {{keggcite|correct|kegg}}
}}
| KEGG =
|Section3= {{Chembox Hazards
| ATCCode_prefix =
| MainHazards=
| ATCCode_suffix =
| FlashPt=
| ATC_Supplemental =}}
| Autoignition=
| Section2 = {{Chembox Properties
}}
| Formula = C<sub>8</sub>H<sub>15</sub>NO<sub>6</sub>
| MolarMass = 221.21 g/mol
| Appearance =
| Density =
| MeltingPt = 172-173 °C
| Melting_notes =
| BoilingPt =
| Boiling_notes =
| Solubility =
| SolubleOther =
| Solvent =
| pKa =
| pKb =
| IsoelectricPt =
| LambdaMax =
| Absorbance =
| SpecRotation =
| RefractIndex =
| Viscosity =
| Dipole = }}
| Section3 = {{Chembox Structure
| CrystalStruct =
| Coordination =
| MolShape = }}
| Section4 = {{Chembox Thermochemistry
| DeltaHf =
| DeltaHc =
| Entropy =
| HeatCapacity = }}
| Section5 = {{Chembox Pharmacology
| AdminRoutes =
| Bioavail =
| Metabolism =
| HalfLife =
| ProteinBound =
| Excretion =
| Legal_status =
| Legal_US =
| Legal_UK =
| Legal_AU =
| Legal_CA =
| PregCat =
| PregCat_AU =
| PregCat_US = }}
| Section6 = {{Chembox Explosive
| ShockSens =
| FrictionSens =
| ExplosiveV =
| REFactor = }}
| Section7 = {{Chembox Hazards
| ExternalMSDS =
| EUClass =
| EUIndex =
| MainHazards =
| NFPA-H =
| NFPA-F =
| NFPA-R =
| NFPA-O =
| RPhrases =
| SPhrases = {{S24/25}}
| RSPhrases =
| FlashPt =
| Autoignition =
| ExploLimits =
| PEL = }}
| Section8 = {{Chembox Related
| OtherFunctn = ]<br>]<br>]
| Function = ]s
| OtherCpds = }}
}} }}

Revision as of 13:19, 24 November 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 453570349 of page N-Acetylgalactosamine with values updated to verified values.
N-Acetylgalactosamine
Names
IUPAC name 2-(Acetylamino)-2-deoxy-D-galactose
Other names GalNAc; 2-Acetamido-2-deoxy-D-galactose; N-Acetylchondrosamine; 2-Acetamido-2-deoxy-D-galactopyranose; N-Acetyl-D-galactosamine
Identifiers
3D model (JSmol)
ChEBI
ChemSpider
PubChem CID
InChI
  • InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1Key: OVRNDRQMDRJTHS-CBQIKETKSA-N
  • InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1Key: OVRNDRQMDRJTHS-CBQIKETKBW
SMILES
  • O(C(CO)O(O)1NC(C)=O)1O
Properties
Chemical formula C8H15NO6
Molar mass 221.21 g/mol
Melting point 172-173 °C
Related compounds
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
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