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

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Revision as of 14:35, 5 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 462267351 of page Propionaldehyde for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 14:36, 5 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 452865285 of page Propionyl-CoA 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 = 432019518
	\| Verifiedfields = changed
			\| ImageFile = Propionyl-Coenzyme A.png
	\| Watchedfields = changed
			\| ImageSize = 250px
⚫	\| verifiedrevid = ~~417943472~~
			\| IUPACName = <small>''S''-methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] propanethioate</small>
	\| Name = Propanal
			\| OtherNames = Propionyl Coenzyme A; Propanoyl Coenzyme A
	\| ImageFileL1 = Propanal-skeletal.png
	\| ImageSizeL1 = 120px
	\| ImageNameL1 = Skeletal structure of propanal
	\| ImageFileR1 = Propionaldehyde_flat_structure.png
	\| ImageNameR1 = Flat structure
	\| ImageSizeR1 = 120px
	\| ImageFile2 = Propionaldehyde-3D-balls.png
	\| ImageSize2 = 180px
	\| ImageName2 = Ball-and-stick model
	\| IUPACName = Propanal
	\| SystematicName = Propionaldehyde
	\| OtherNames = Methylacetaldehyde; propionic aldehyde; propaldehyde
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
			\| InChI1 = 1/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13?,17-,18-,19?,23?/m1/s1
	\| UNII_Ref = {{fdacite\|changed\|FDA}}
			\| InChIKey1 = QAQREVBBADEHPA-HOMDEXLGBF
	\| UNII = AMJ2B4M67V
	\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
	\| ChEBI = 17153
	\| SMILES = CCC=O
	\| PubChem = 527
	\| InChI = 1/C3H6O/c1-2-3-4/h3H,2H2,1H3
	\| InChIKey = NBBJYMSMWIIQGU-UHFFFAOYAZ
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = 275626
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13?,17-,18-,19?,23?/m1/s1
	\| StdInChI = 1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~NBBJYMSMWIIQGU~~-~~UHFFFAOYSA~~-N		\| StdInChIKey = QAQREVBBADEHPA-HOMDEXLGSA-N
			\| CASNo = <!-- blanked - oldvalue: 317-66-8 -->
	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| ~~CASNo~~ = ~~123-38-6~~		\| PubChem = 439164
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~512~~		\| ChemSpiderID = 21106467
			\| SMILES = CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC3OC(n2cnc1c(N)ncnc12)(O)3OP(O)(O)=O
	\| UNNumber = 1275
			\| MeSHName = propionyl-coenzyme+A
⚫	\| ~~RTECS~~ =
	}}		}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
	\| Formula = C<sub>3</sub>H<sub>6</sub>O		\| Formula = C<sub>24</sub>H<sub>40</sub>N<sub>7</sub>O<sub>17</sub>P<sub>3</sub>S
	\| MolarMass = 58.08 g mol~~<sup>−1</sup>~~		\| MolarMass = 823.60 g/mol
	\| Appearance = ~~Colorless liquid<br />Pungent, marty odor~~		\| Appearance =
	\| Density = ~~0.81 g cm<sup>−3</sup>~~		\| Density =
	\| ~~Solubility~~ = ~~20 g/100 mL~~		\| MeltingPt =
	\| ~~MeltingPtC~~ = ~~−81~~		\| BoilingPt =
	\| BoilingPtCL = 46
	\| BoilingPtCH = 50
	\| Viscosity = 0.6 ] at 20°C
	}}		}}
	\| Section3 = {{Chembox ~~Structure~~		\| Section3 = {{Chembox Hazards
		⚫	\| Solubility =
	\| MolShape = C<sub>1</sub>, O: sp<sup>2</sup>
			\| MainHazards =
	C<sub>2</sub>, C<sub>3</sub>: sp<sup>3</sup>
	\| ~~Dipole~~ = ~~2.52 ]~~		\| FlashPt =
		⚫	\| Autoignition =
	}}
	\| Section7 = {{Chembox Hazards
	\| ExternalMSDS =
	\| EUClass = Highly flammable ('''F''')<br />Irritant ('''Xi''')
	\| NFPA-H = 2
	\| NFPA-F = 3
	\| NFPA-R = 2
	\| RPhrases = {{R11}}, {{R36/37/38}}
	\| SPhrases = {{S9}}, {{S16}}, {{S29}}
	\| FlashPt = −26 °C
⚫	\| Autoignition = ~~175 °C~~
	}}
	\| Section8 = {{Chembox Related
	\| Function = ]s
	\| OtherFunctn = ]<br />]
	}}		}}
	}}		}}

Revision as of 14:36, 5 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 452865285 of page Propionyl-CoA with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name S-methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] propanethioate
Other names Propionyl Coenzyme A; Propanoyl Coenzyme A
Identifiers
3D model (JSmol)	Interactive image
ChemSpider	21106467
MeSH	propionyl-coenzyme+A
PubChem CID	439164
InChI InChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13?,17-,18-,19?,23?/m1/s1Key: QAQREVBBADEHPA-HOMDEXLGSA-N InChI=1/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13?,17-,18-,19?,23?/m1/s1Key: QAQREVBBADEHPA-HOMDEXLGBF
SMILES CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC3OC(n2cnc1c(N)ncnc12)(O)3OP(O)(O)=O
Properties
Chemical formula	C₂₄H₄₀N₇O₁₇P₃S
Molar mass	823.60 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