Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox: Difference between revisions

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Revision as of 05:16, 17 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 468550293 of page Allantoin for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 05:17, 17 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 476404258 of page Allicin for the Chem/Drugbox validation project (updated: '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 = ~~443375405~~		\| verifiedrevid = 443375555
			\| ImageFileL1 = R-allicin-2D-skeletal.png
	\| ImageFile = Allantoin_chemical_structure.png
	\| ~~ImageSize~~ = ~~150px~~		\| ImageSizeL1 = 121
			\| ImageNameL1 = Structural formula of R-allicin
	\| IUPACName = (2,5-Dioxo-4-imidazolidinyl) urea
			\| ImageFileR1 = R-alllicin-3D-balls.png
	\| OtherNames = • Alcloxa<br>• Aldioxa<br>• Ureidohydantoin<br>•Glyoxyldiureide<br>•Hemocane<br>• 5-Ureidohydantoin<br>• Vitamin U (formerly)<ref>{{cite book \|title=Staying Healthy With Nutrition: The Complete Guide to Diet and Nutritional Medicine \|last=Haas \|first=Elson M. \|year=1992 \|publisher=Celestial Arts \|isbn=0-89087-481-6 }}</ref>
			\| ImageSizeR1 = 121
			\| ImageNameR1 = Ball and stick model of R-allicin
			\| PIN = 2-Propene-1-sulfinothioic acid S-2-propenyl ester
			\| SystematicName = 3-prop-1-ene
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
			\| CASNo = <!-- blanked - oldvalue: 539-86-6 -->
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| CASNo_Ref = {{cascite\|correct\|??}}
⚫	\| ChemSpiderID = ~~199~~
		⚫	\| PubChem = 65036
⚫	\| ~~UNII_Ref~~ = {{~~fdacite~~\|correct\|~~FDA~~}}
			\| PubChem_Ref = {{Pubchemcite\|correct\|PubChem}}
⚫	\| UNII = ~~344S277G0Z~~
		⚫	\| ChemSpiderID = 58548
⚫	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| KEGG = ~~D00121~~
			\| EINECS = 208-727-7
	\| InChI = 1/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
		⚫	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| InChIKey = POJWUDADGALRAB-UHFFFAOYAE
		⚫	\| KEGG = C07600
⚫	\| SMILES1 = ~~C1(~~C(=~~O)NC~~(=O)~~N1)NC(~~=~~O)N~~
			\| MeSHName = Allicin
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
		⚫	\| ChEBI = 28411
			\| IUPHAR_ligand = 2419
			\| Beilstein = 1752823
			\| UNII_Ref = {{fdacite\|correct\|FDA}}
		⚫	\| UNII = 3C39BY17Y6
		⚫	\| SMILES = O=S(SC\C=C)C\C=C
		⚫	\| SMILES1 = C=CCSS(=O)CC=C
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}		\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = ~~593429~~		\| ChEMBL = 359965
			\| StdInChI = 1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
			\| InChI = 1/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~POJWUDADGALRAB~~-UHFFFAOYSA-N		\| StdInChIKey = JDLKFOPOAOFWQN-UHFFFAOYSA-N
	\| ~~CASNo_Ref~~ = {{~~cascite~~\|correct\|~~CAS~~}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
			\| InChIKey = JDLKFOPOAOFWQN-UHFFFAOYAO}}
	\| CASNo = 97-59-6
⚫	\| PubChem =
⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
⚫	\| ChEBI = ~~15676~~
⚫	\| SMILES = O=~~C1NC~~(=O)~~NC1NC(~~=~~O)N~~
	}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
	\|C=~~4\|H=~~6~~\|N=4\|O=3~~		\| C = 6
			\| H = 10
	\| Appearance = colourless crystalline powder
	\| ~~Density~~ = 1~~.45g/cm3~~		\| O = 1
	\| ~~MeltingPtC~~ = ~~230~~		\| S = 2
			\| ExactMass = 162.017306322 g mol<sup>−1</sup>
⚫	\| BoilingPt =
			\| Appearance = Colourless liquid
	\| Solubility = 0.5% at 25 °C
			\| Density = 1.112 g cm<sup>−3</sup>
	}}
			\| MeltingPt = <25 °C
	\| Section3 = {{Chembox Hazards
		⚫	\| BoilingPt = decomposes}}
	\| ExternalMSDS =
	\| MainHazards =
	\| FlashPt =
	\| Autoignition =
	}}
	}}		}}

Revision as of 05:17, 17 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 476404258 of page Allicin with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox

Structural formula of R-allicin

Ball and stick model of R-allicin

Names

Preferred IUPAC name 2-Propene-1-sulfinothioic acid S-2-propenyl ester

Systematic IUPAC name 3-prop-1-ene

Identifiers

3D model (JSmol)

Beilstein Reference

1752823

ChEBI

CHEBI:28411

ChEMBL

ChEMBL359965

ChemSpider

58548

EC Number

208-727-7

IUPHAR/BPS

2419

KEGG

C07600

MeSH

Allicin

PubChem CID

65036

UNII

3C39BY17Y6

InChI

InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2Key: JDLKFOPOAOFWQN-UHFFFAOYSA-N
InChI=1/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2Key: JDLKFOPOAOFWQN-UHFFFAOYAO

SMILES