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

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Revision as of 20:09, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 473311633 of page Adenosine_monophosphate for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 20:09, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 399377256 of page Adenosine_thiamine_triphosphate 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 = ~~443657695~~		\| verifiedrevid = 399375402
	\| ImageFile = ~~AMP~~ ~~structure~~.~~svg~~		\| ImageFile = Adenosine thiamine triphosphate.png
	\| ImageSize = ~~200px~~		\| ImageSize = 250px
			\| IUPACName = 3-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-(((((((((2''R'',3''S'',4''R'',5''R'')-5-(6-amino-9''H''-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)ethyl)-4-methylthiazol-3-ium
	\| ImageName = Skeletal formula of AMP
			\| IUPACName_hidden = yes
	\| ImageFile1 = Adenosine-monophosphate-anion-3D-balls.png
			\| OtherNames = P1,P3-(Adenosine-5'-thiamine) triphosphate
	\| ImageSize1 = 200px
	\| ImageName1 = Ball-and-stick model of AMP
	\| IUPACName = 5'-Adenylic acid
	\| OtherNames =
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~5858~~		\| ChemSpiderID = 13082023
			\| InChI = 1/C22H30N9O13P3S/c1-11-15(48-10-30(11)6-13-5-25-12(2)29-19(13)23)3-4-40-45(34,35)43-47(38,39)44-46(36,37)41-7-14-17(32)18(33)22(42-14)31-9-28-16-20(24)26-8-27-21(16)31/h5,8-10,14,17-18,22,32-33H,3-4,6-7H2,1-2H3,(H6-,23,24,25,26,27,29,34,35,36,37,38,39)/p+1/t14-,17-,18-,22-/m1/s1
	\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\| SMILES1 = O=P(O)(OC3O(n1c2ncnc(N)c2nc1)(O)3O)OP(=O)(O)OP(=O)(O)OCCc4sc(c4C)Cc5c(nc(nc5)C)N
	\| UNII = 415SHH325A
			\| InChIKey = FGOYXNBJKMNPDH-YLNAWJOLBZ
	\| InChI = 1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
	\| InChIKey = UDMBCSSLTHHNCD-KQYNXXCUBP
	\| SMILES1 = c1nc(c2c(n1)n(cn2)3(((O3)COP(=O)(O)O)O)O)N
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = 752
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C10H14N5O7P~~/~~c11~~-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(~~18,19~~)20/h2-4,6-7,10,16-~~17H~~,~~1H2~~,~~(H2~~,11,12,~~13)(H2~~,18,19,20)/t4-,6-,7-,10-/m1/s1		\| StdInChI = 1S/C22H30N9O13P3S/c1-11-15(48-10-30(11)6-13-5-25-12(2)29-19(13)23)3-4-40-45(34,35)43-47(38,39)44-46(36,37)41-7-14-17(32)18(33)22(42-14)31-9-28-16-20(24)26-8-27-21(16)31/h5,8-10,14,17-18,22,32-33H,3-4,6-7H2,1-2H3,(H6-,23,24,25,26,27,29,34,35,36,37,38,39)/p+1/t14-,17-,18-,22-/m1/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~UDMBCSSLTHHNCD~~-~~KQYNXXCUSA~~-N		\| StdInChIKey = FGOYXNBJKMNPDH-SAJUPQAESA-O
	\| CASNo = 61-19-8		\| CASNo = <!-- blanked - oldvalue: 30632-11-2 -->
			\| CASNo_Comment = (chloride)
	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| PubChem =		\| PubChem = 15938962
			\| SMILES = NC1=NC=NC2=C1N=CN23(O)(O)(COP(OP(OP(OCCC4=C(C)(CC5=CN=C(C)N=C5N)=CS4)(O)=O)(O)=O)(O)=O)O3
	\| IUPHAR_ligand = 2455
			\| MeSHName=adenosine+thiamine+triphosphate
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| DrugBank = DB00131
	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| ChEBI = 16027
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| KEGG = C00020
	\| SMILES = O=P(O)(O)OC3O(n2cnc1c(ncnc12)N)(O)3O
	\| MeSHName = Adenosine+monophosphate
	}}		}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
			\| C=22\|H=31\|N=9\|O=13\|P=3\|S=1
	\| Formula = C<sub>10</sub>H<sub>14</sub>N<sub>5</sub>O<sub>7</sub>P
	\| MolarMass = 347.22 g/mol
	\| Appearance =		\| Appearance =
	\| pKa = 0.9, 3.8, 6.1
	\| Density =		\| Density =
	\| MeltingPt =		\| MeltingPt =
	\| BoilingPt =		\| BoilingPt =
		⚫	\| Solubility =
	}}		}}
	\| Section3 = {{Chembox Hazards		\| Section3 = {{Chembox Hazards
⚫	\| Solubility =
	\| MainHazards =		\| MainHazards =
	\| FlashPt =		\| FlashPt =

Revision as of 20:09, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 399377256 of page Adenosine_thiamine_triphosphate with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name 3-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-(((((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)ethyl)-4-methylthiazol-3-ium
Other names P1,P3-(Adenosine-5'-thiamine) triphosphate
Identifiers
3D model (JSmol)	Interactive image Interactive image
ChemSpider	13082023
MeSH	adenosine+thiamine+triphosphate
PubChem CID	15938962
InChI InChI=1S/C22H30N9O13P3S/c1-11-15(48-10-30(11)6-13-5-25-12(2)29-19(13)23)3-4-40-45(34,35)43-47(38,39)44-46(36,37)41-7-14-17(32)18(33)22(42-14)31-9-28-16-20(24)26-8-27-21(16)31/h5,8-10,14,17-18,22,32-33H,3-4,6-7H2,1-2H3,(H6-,23,24,25,26,27,29,34,35,36,37,38,39)/p+1/t14-,17-,18-,22-/m1/s1Key: FGOYXNBJKMNPDH-SAJUPQAESA-O InChI=1/C22H30N9O13P3S/c1-11-15(48-10-30(11)6-13-5-25-12(2)29-19(13)23)3-4-40-45(34,35)43-47(38,39)44-46(36,37)41-7-14-17(32)18(33)22(42-14)31-9-28-16-20(24)26-8-27-21(16)31/h5,8-10,14,17-18,22,32-33H,3-4,6-7H2,1-2H3,(H6-,23,24,25,26,27,29,34,35,36,37,38,39)/p+1/t14-,17-,18-,22-/m1/s1Key: FGOYXNBJKMNPDH-YLNAWJOLBZ
SMILES NC1=NC=NC2=C1N=CN23(O)(O)(COP(OP(OP(OCCC4=C(C)(CC5=CN=C(C)N=C5N)=CS4)(O)=O)(O)=O)(O)=O)O3 O=P(O)(OC3O(n1c2ncnc(N)c2nc1)(O)3O)OP(=O)(O)OP(=O)(O)OCCc4sc(c4C)Cc5c(nc(nc5)C)N
Properties
Chemical formula	C₂₂H₃₁N₉O₁₃P₃S
Molar mass	754.52 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