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

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Revision as of 15:30, 17 November 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 455561019 of page Glucono_delta-lactone for the Chem/Drugbox validation project (updated: 'ChEMBL').← Previous edit		Revision as of 15:31, 17 November 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 454169010 of page Glucosamine for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'ChEMBL', 'ChEBI', 'KEGG', 'StdInChI', 'StdInChIKe...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
			\| Watchedfields = changed
	\| verifiedrevid = ~~396144453~~		\| verifiedrevid = 399902425
	\| Reference = <ref>{{Merck13th\|4469}}.</ref><ref>Beil. '''18''', V, 5, 11</ref>
		⚫	\| ImageFileL1 = Alpha-D-glucosamine.png
	\| Name = <small>D</small>-Gluconic acid δ-lactone
			\| ImageFileL1_Ref = {{Chemboximage\|correct\|??}}
⚫	\| ImageFileL1 = ~~Glucono~~-~~delta~~-~~lactone-2D-skeletal~~.png
	\| ImageSizeL1 = ~~120px~~		\| ImageSizeL1 = 121
			\| ImageNameL1 = Stereo structural formula of glucosamine ((2S,6R)-6-meth,-2-ol)
	\| ImageFileR1 = D-~~glucono-delta-lactone~~-3D-balls.png		\| ImageFileR1 = beta-D-glucosamine-3D-balls.png
⚫	\| ImageSizeR1 = ~~120px~~
			\| ImageFileR1_Ref = {{Chemboximage\|correct\|??}}
⚫	\| IUPACName = (3''R'',4''S'',5''S~~'',6''R~~'')-3~~,4,5~~-~~trihydroxy~~-6-(hydroxymethyl)~~tetrahydro-2''H''-pyran~~-2-~~one~~
		⚫	\| ImageSizeR1 = 121
	\| OtherNames=<small>D</small>-Glucono-1,5-lactone
			\| ImageNameR1 = Ball and stick model of glucosamine ((2R,6R)-6-meth,-2-ol)
		⚫	\| IUPACName = (3''R'',4''R'',5''S'')-3-Amino-6-(hydroxymethyl)oxane-2,4,5-triol
			\| OtherNames = 2-Amino-2-deoxy-glucose<br />
			Chitosamine
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
		⚫	\| CASNo = 3416-24-8
		⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
		⚫	\| PubChem = 439213
			\| PubChem_Ref = {{Pubchemcite\|correct\|PubChem}}
		⚫	\| ChemSpiderID = 390201
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|changed\|chemspider}}
			\| UNII = N08U5BOQ1K
	\| UNII_Ref = {{fdacite\|correct\|FDA}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\| EINECS = 222-311-2
⚫	\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
		⚫	\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
⚫	\| ChEMBL = <!-- blanked - oldvalue: ~~1200829~~ -->
	\| ~~UNII~~ = ~~WQ29KQ9POT~~		\| DrugBank = DB01296
			\| KEGG = <!-- blanked - oldvalue: D04334 -->
	\| KEGG_Ref = {{keggcite\|changed\|kegg}}		\| KEGG_Ref = {{keggcite\|changed\|kegg}}
	\| KEGG = D04332
			\| MeSHName = Glucosamine
⚫	\| ~~InChI~~ = 1/~~C6H10O6~~/c7~~-1-2~~-3(8)4(9)5(10)6(11)~~12-2~~/h2-5,7-~~10H~~,~~1H2~~/t2-,3-,4+,5-/m1/s1
		⚫	\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
	\| InChIKey = PHOQVHQSTUBQQK-SQOUGZDYBO
		⚫	\| ChEBI = 28393
⚫	\| StdInChI_Ref = {{stdinchicite\|~~correct~~\|chemspider}}
		⚫	\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
	\| StdInChI = 1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1
		⚫	\| ChEMBL = <!-- blanked - oldvalue: 181132 -->
⚫	\| StdInChIKey_Ref = {{stdinchicite\|~~correct~~\|chemspider}}
			\| ATCCode_prefix = M01
⚫	\| StdInChIKey = ~~PHOQVHQSTUBQQK~~-~~SQOUGZDYSA~~-N
			\| ATCCode_suffix = AX05
⚫	\| CASNo = 90-80-2
			\| Beilstein = 1723616
⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| ~~EC-number~~ = ~~202-016-5~~		\| Gmelin = 720725
		⚫	\| SMILES = N1C(O)OC(CO)(O)1O
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|~~correct~~\|chemspider}}
		⚫	\| StdInChI = 1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1
⚫	\| ChemSpiderID = ~~6760~~
		⚫	\| StdInChI_Ref = {{stdinchicite\|changed\|chemspider}}
⚫	\| PubChem = ~~736~~
		⚫	\| StdInChIKey = MSWZFWKMSRAUBD-QZABAPFNSA-N
⚫	\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
		⚫	\| StdInChIKey_Ref = {{stdinchicite\|changed\|chemspider}}
	\| DrugBank = DB04564
⚫	\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
⚫	\| ChEBI = ~~16217~~
⚫	\| SMILES = ~~C(1~~((~~(C(=O)O1)O)O)O)O~~
	}}		}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
	\| ~~C=6\|H=10\|O~~=6		\| C = 6
	\| ~~Appearance~~ =		\| H = 13
	\| ~~Density~~ =		\| N = 1
	\| ~~MeltingPt~~ =		\| O = 5
			\| ExactMass = 179.079372531 g mol<sup>-1</sup>
	\| BoilingPt =
	\| ~~Solubility~~ =		\| MeltingPtC = 150
			\| LogP = -2.175
⚫	}}
			\| pKa = 12.273
	\| Section3 = {{Chembox Hazards
	\| ~~MainHazards~~ =		\| pKb = 1.724
		⚫	}}
	\| FlashPt =
	\| Autoignition =
	}}
	}}		}}