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Revision as of 05:30, 17 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 444466233 of page Alpha-Ketoadipic_acid for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 05:31, 17 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 466679288 of page Alpha-Ketobutyric_acid for the Chem/Drugbox validation project (updated: '').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 = ~~438036721~~		\| verifiedrevid = 443659318
	\| Name = α-~~Ketoadipic~~ acid		\|Name=α-Ketobutyric acid
		⚫	\|ImageFile=Alpha-ketobutyric acid.svg
	\| Reference = <ref>, ].</ref>
			\|ImageSize=
⚫	\| ~~ImageFileL1~~ = Alpha-~~ketoadipic~~ acid.svg
			\|ImageFile1=Alpha-Ketobutyric acid.png
	\| ImageFileL1_Ref = {{chemboximage\|correct\|??}}
			\|ImageSize=
	\| ImageSizeL1 = 121
		⚫	\|IUPACName=2-oxobutanoic acid
	\| ImageNameL1 = Skeletal formula of α-ketoadipic acid
			\|OtherNames=
	\| ImageFileR1 = Alpha-keotadipic-acid-3D-balls.png
		⚫	\|Section1= {{Chembox Identifiers
	\| ImageFileR1_Ref = {{chemboximage\|correct\|??}}
		⚫	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| ImageSizeR1 = 121
			\| KEGG = C00109
	\| ImageNameR1 = Ball and stick model of α-ketoadipic acid
			\| InChI = 1/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
⚫	\| IUPACName = 2-~~Oxohexanedioic~~ acid
			\| InChIKey = TYEYBOSBBBHJIV-UHFFFAOYAT
	\| SystematicName = 2-Oxohexanedioic acid<ref>{{Cite web\|url = http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71&loc=ec_rcs\|title = Alpha-ketoadipic acid\|work = The PubChem Project\|publisher = National Center for Biotechnology Information}}</ref>
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	2-Oxoadipate
			\| ChEMBL = 171246
⚫	\| Section1 = {{Chembox Identifiers
		⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| CASNo = <!-- blanked - oldvalue: 3184-35-8 -->
		⚫	\| StdInChI = 1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
⚫	\| ~~CASNo_Ref~~ = {{~~cascite~~\|correct\|??}}
		⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| PubChem = 71
		⚫	\| StdInChIKey = TYEYBOSBBBHJIV-UHFFFAOYSA-N
	\| PubChem_Ref = {{Pubchemcite\|correct\|PubChem}}
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
⚫	\| ChemSpiderID = 70
			\| CASNo=600-18-0
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ~~KEGG~~ = ~~C00322~~		\| PubChem=58
	\| ~~KEGG_Ref~~ = {{~~keggcite~~\|correct\|~~kegg~~}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| ChemSpiderID = 57
⚫	\| MeSHName = Alpha-~~ketoadipic~~+acid
	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}		\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| ChEBI = ~~15753~~		\| ChEBI = 30831
			\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| 3DMet = B00088
			\| DrugBank = DB04553
	\| SMILES = C(CC(=O)C(=O)O)CC(=O)O
	\| ~~SMILES1~~ = O=C(C(=O)O)~~CCCC(=O)O~~		\| SMILES = O=C(C(=O)O)CC
		⚫	\| MeSHName=Alpha-ketobutyric+acid
⚫	\| StdInChI = 1S/~~C6H8O5~~/c7-~~4(6(10)11)~~2-1-3-5(8)9/~~h1-3H2~~,(H,~~8,9)~~(H,10,11)
		⚫	}}
⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	\|Section2= {{Chembox Properties
	\| InChI = 1/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
			\| Formula=C<sub>4</sub>H<sub>6</sub>O<sub>3</sub>
⚫	\| StdInChIKey = ~~FGSBNBBHOZHUBO~~-UHFFFAOYSA-N
			\| MolarMass=102.089 g/mol
⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
			\| Appearance=
	\| InChIKey = FGSBNBBHOZHUBO-UHFFFAOYAU
			\| Density=
⚫	}}
			\| MeltingPt=
⚫	\| Section2 = {{Chembox Properties
	\| C = 6		\| BoilingPt=
	\| H = 8		\| Solubility=
	\| ~~O = 5~~		}}
			\|Section3= {{Chembox Hazards
	\| ExactMass = 160.037173366 g mol<sup>-1</sup>
			\| MainHazards=
⚫	}}
			\| FlashPt=
			\| Autoignition=
		⚫	}}
	}}		}}

Revision as of 05:31, 17 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 466679288 of page Alpha-Ketobutyric_acid with values updated to verified values.

α-Ketobutyric acid
Names


IUPAC name 2-oxobutanoic acid
Identifiers
CAS Number	600-18-0
3D model (JSmol)	Interactive image
ChEBI	CHEBI:30831
ChEMBL	ChEMBL171246
ChemSpider	57
DrugBank	DB04553
KEGG	C00109
MeSH	Alpha-ketobutyric+acid
PubChem CID	58
InChI InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)Key: TYEYBOSBBBHJIV-UHFFFAOYSA-N InChI=1/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)Key: TYEYBOSBBBHJIV-UHFFFAOYAT
SMILES O=C(C(=O)O)CC
Properties
Chemical formula	C₄H₆O₃
Molar mass	102.089 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Chemical compound