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

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Revision as of 15:31, 17 November 2011 editBeetstra (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...← Previous edit		Revision as of 15:32, 17 November 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 443837824 of page Glucose_1,6-bisphosphate for the Chem/Drugbox validation project (updated: 'ChEBI', 'StdInChI', 'StdInChIKey', '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 = 443836672
	\| Verifiedfields = changed
			\|ImageFile=Glucose-1,6-bisphosphate.png
	\| Watchedfields = changed
			\|ImageSize=200px
⚫	\| verifiedrevid = ~~399902425~~
		⚫	\|IUPACName=
	\| ImageFileL1 = Alpha-D-glucosamine.png
			dihydrogen phosphate
	\| ImageFileL1_Ref = {{Chemboximage\|correct\|??}}
			\|OtherNames=
	\| ImageSizeL1 = 121
		⚫	\|Section1={{Chembox Identifiers
	\| ImageNameL1 = Stereo structural formula of glucosamine ((2S,6R)-6-meth,-2-ol)
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ImageFileR1 = beta-D-glucosamine-3D-balls.png
		⚫	\| ChemSpiderID = 8580400
	\| ImageFileR1_Ref = {{Chemboximage\|correct\|??}}
			\| ChemSpiderID_Comment = unspecified anomer
	\| ImageSizeR1 = 121
			\| ChemSpiderID1_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ImageNameR1 = Ball and stick model of glucosamine ((2R,6R)-6-meth,-2-ol)
			\| ChemSpiderID1 = 74362
⚫	\| IUPACName = (3''R'',4''R'',5''S'')-3-~~Amino~~-6-(~~hydroxymethyl~~)~~oxane~~-2~~,4,5~~-~~triol~~
			\| ChemSpiderID1_Comment = alpha anomer
	\| OtherNames = 2-Amino-2-deoxy-glucose<br />
			\| ChemSpiderID2_Ref = {{chemspidercite\|correct\|chemspider}}
	Chitosamine
			\| ChemSpiderID2 = 394563
⚫	\| Section1 = {{Chembox Identifiers
			\| ChemSpiderID1_Comment = beta anomer
	\| CASNo = 3416-24-8
			\| InChI = 1/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1
	\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| InChIKey = RWHOZGRAXYWRNX-VFUOTHLCBH
	\| PubChem = 439213
	\| ~~PubChem_Ref~~ = {{~~Pubchemcite~~\|correct\|~~PubChem~~}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	\| StdInChI = 1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6?/m1/s1
⚫	\| ChemSpiderID = ~~390201~~
	\| ~~ChemSpiderID_Ref~~ = {{~~chemspidercite~~\|~~changed~~\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	\| StdInChIKey = RWHOZGRAXYWRNX-GASJEMHNSA-N
	\| UNII = N08U5BOQ1K
		⚫	\| CASNo = <!-- blanked - oldvalue: 305-58-8 -->
	\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| ~~EINECS~~ = ~~222-311-2~~		\| PubChem = 82400
	\| ~~DrugBank_Ref~~ = {{~~drugbankcite~~\|~~changed~~\|~~drugbank~~}}		\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
		⚫	\| ChEBI = <!-- blanked - oldvalue: 18148 -->
	\| DrugBank = DB01296
		⚫	\| SMILES = O=P(O)(O)OC1O(OP(=O)(O)O)(O)(O)1O
⚫	\| ~~KEGG~~ = <!-- blanked - oldvalue: ~~D04334~~ -->
	\| KEGG_Ref = {{keggcite\|changed\|kegg}}
	\| MeSHName = Glucosamine
	\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
	\| ChEBI = 28393
	\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
⚫	\| ~~ChEMBL~~ = <!-- blanked - oldvalue: ~~181132~~ -->
	\| ATCCode_prefix = M01
	\| ATCCode_suffix = AX05
	\| Beilstein = 1723616
	\| Gmelin = 720725
⚫	\| SMILES = N1C(O)OC(CO)(O)1O
⚫	\| 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
	\| StdInChI_Ref = {{stdinchicite\|changed\|chemspider}}
⚫	\| StdInChIKey = ~~MSWZFWKMSRAUBD~~-~~QZABAPFNSA~~-N
	\| StdInChIKey_Ref = {{stdinchicite\|changed\|chemspider}}
⚫	}}
⚫	\| Section2 = {{Chembox Properties
	\| C = 6
	\| H = 13
	\| N = 1
	\| O = 5
	\| ExactMass = 179.079372531 g mol<sup>-1</sup>
	\| MeltingPtC = 150
	\| LogP = -2.175
	\| pKa = 12.273
	\| pKb = 1.724
	}}		}}
		⚫	\|Section2={{Chembox Properties
			\| C=6\|H=14\|O=12\|P=2
			\| Appearance=
			\| Density=
			\| MeltingPt=
			\| BoilingPt=
			\| Solubility=
		⚫	}}
			\|Section3={{Chembox Hazards
			\| MainHazards=
			\| FlashPt=
			\| Autoignition=
			}}
	}}		}}

Revision as of 15:32, 17 November 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 443837824 of page Glucose_1,6-bisphosphate with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name dihydrogen phosphate
Identifiers
3D model (JSmol)	Interactive image
ChemSpider	8580400 unspecified anomer 74362 beta anomer 394563
PubChem CID	82400
InChI InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6?/m1/s1Key: RWHOZGRAXYWRNX-GASJEMHNSA-N InChI=1/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1Key: RWHOZGRAXYWRNX-VFUOTHLCBH
SMILES O=P(O)(O)OC1O(OP(=O)(O)O)(O)(O)1O
Properties
Chemical formula	C₆H₁₄O₁₂P₂
Molar mass	340.114 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

Tracking categories (test):

SizeSet

Chemical compound