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

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Revision as of 17:52, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 433687219 of page 3-Hydroxyisobutyryl-CoA for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 17:52, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 452198925 of page 3-Hydroxykynurenine 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 = ~~401772366~~		\| verifiedrevid = 443348502
	\|ImageFile=3-~~Hydroxyisobutyryl-CoA~~.png		\|ImageFile=3-hydroxykynurenine.png
	\|ImageSize=~~250px~~		\|ImageSize=200px
			\|IUPACName=2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
	\|IUPACName= <small>''S''-[2-[3-<nowiki>[[</nowiki>4-<nowiki>[[[</nowiki>(2''R'',3''S'',4''R'',5''R'')-
	5-(6-Aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]
	oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxy-2-methylpropanethioate</small>
	\|OtherNames=		\|OtherNames=
	\|Section1={{Chembox Identifiers		\|Section1={{Chembox Identifiers
	\| ~~ChemSpiderID_Ref~~ = {{~~chemspidercite~~\|correct\|~~chemspider~~}}		\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| ~~ChemSpiderID~~ = ~~389192~~		\| KEGG = C02794
			\| InChI = 1/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)
	\| InChI1 = 1/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13?,14-,17-,18-,19?,23-/m1/s1
			\| InChIKey = VCKPUUFAIGNJHC-UHFFFAOYAF
	\| InChIKey1 = WWEOGFZEFHPUAM-VRQRJWBYBU
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
			\| ChEMBL = 442576
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)
	\| StdInChI = 1S/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13?,14-,17-,18-,19?,23-/m1/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~WWEOGFZEFHPUAM~~-~~VRQRJWBYSA~~-N		\| StdInChIKey = VCKPUUFAIGNJHC-UHFFFAOYSA-N
			\| CASNo = <!-- blanked - oldvalue: 484-78-6 -->
	\| CASNo=
	\| PubChem=~~440205~~		\| PubChem=89
			\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| SMILES = O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC3O(n2cnc1c(ncnc12)N)(O)3OP(=O)(O)O)C(C)CO
			\| ChEBI = 1547
⚫	}}
			\| SMILES = O=C(O)C(N)CC(=O)c1cccc(O)c1N
			\| MeSHName=3-hydroxykynurenine
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| ChemSpiderID = 87
		⚫	}}
	\|Section2={{Chembox Properties		\|Section2={{Chembox Properties
	\| Formula=C<sub>25</sub>H<sub>42</sub>N<sub>7</sub>O<sub>18</sub>~~P<sub>3</sub>S~~		\| Formula=C<sub>10</sub>H<sub>12</sub>N<sub>2</sub>O<sub>4</sub>
	\| MolarMass=~~853~~.62 g/mol		\| MolarMass=224.21 g/mol
	\| Appearance=		\| Appearance=
	\| Density=		\| Density=

Revision as of 17:52, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 452198925 of page 3-Hydroxykynurenine with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name 2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
Identifiers
3D model (JSmol)	Interactive image
ChEBI	CHEBI:1547
ChEMBL	ChEMBL442576
ChemSpider	87
KEGG	C02794
MeSH	3-hydroxykynurenine
PubChem CID	89
InChI InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)Key: VCKPUUFAIGNJHC-UHFFFAOYSA-N InChI=1/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)Key: VCKPUUFAIGNJHC-UHFFFAOYAF
SMILES O=C(O)C(N)CC(=O)c1cccc(O)c1N
Properties
Chemical formula	C₁₀H₁₂N₂O₄
Molar mass	224.21 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