Chemical data of Lactic acid












6














I'm using the next Mathematica command in order to plot molecules:



ChemicalData["name", "MoleculePlot"]


But I'm not sure if the Mathematica database of molecules is complete.



I'm trying to plot lactic acid.



The problem is that it doesn't seem to exist a name of the molecule that makes the command work



ChemicalData["Lactic acid", "MoleculePlot"]


or



ChemicalData["2-Hydroxypropanoic acid", "MoleculePlot"]


So, I want to know if anyone has any suggestions about what to do in these cases.






plotting curated-data chemistry data-acquisition







share|improve this question
























  • No database of molecules is complete.
    – Loong
    Dec 9 at 9:14










  • Yes .. But that one is an important molecule
    – Delfin
    Dec 9 at 19:38
















6














I'm using the next Mathematica command in order to plot molecules:



ChemicalData["name", "MoleculePlot"]


But I'm not sure if the Mathematica database of molecules is complete.



I'm trying to plot lactic acid.



The problem is that it doesn't seem to exist a name of the molecule that makes the command work



ChemicalData["Lactic acid", "MoleculePlot"]


or



ChemicalData["2-Hydroxypropanoic acid", "MoleculePlot"]


So, I want to know if anyone has any suggestions about what to do in these cases.






plotting curated-data chemistry data-acquisition







share|improve this question
























  • No database of molecules is complete.
    – Loong
    Dec 9 at 9:14










  • Yes .. But that one is an important molecule
    – Delfin
    Dec 9 at 19:38














6












6








6


1





I'm using the next Mathematica command in order to plot molecules:



ChemicalData["name", "MoleculePlot"]


But I'm not sure if the Mathematica database of molecules is complete.



I'm trying to plot lactic acid.



The problem is that it doesn't seem to exist a name of the molecule that makes the command work



ChemicalData["Lactic acid", "MoleculePlot"]


or



ChemicalData["2-Hydroxypropanoic acid", "MoleculePlot"]


So, I want to know if anyone has any suggestions about what to do in these cases.






plotting curated-data chemistry data-acquisition







share|improve this question















I'm using the next Mathematica command in order to plot molecules:



ChemicalData["name", "MoleculePlot"]


But I'm not sure if the Mathematica database of molecules is complete.



I'm trying to plot lactic acid.



The problem is that it doesn't seem to exist a name of the molecule that makes the command work



ChemicalData["Lactic acid", "MoleculePlot"]


or



ChemicalData["2-Hydroxypropanoic acid", "MoleculePlot"]


So, I want to know if anyone has any suggestions about what to do in these cases.






plotting curated-data chemistry data-acquisition




plotting curated-data chemistry data-acquisition






share|improve this question















share|improve this question













share|improve this question




share|improve this question








edited Dec 8 at 11:50









David G. Stork

23k22051




23k22051










asked Dec 8 at 11:37









Delfin

757




757












  • No database of molecules is complete.
    – Loong
    Dec 9 at 9:14










  • Yes .. But that one is an important molecule
    – Delfin
    Dec 9 at 19:38


















  • No database of molecules is complete.
    – Loong
    Dec 9 at 9:14










  • Yes .. But that one is an important molecule
    – Delfin
    Dec 9 at 19:38
















No database of molecules is complete.
– Loong
Dec 9 at 9:14




No database of molecules is complete.
– Loong
Dec 9 at 9:14












Yes .. But that one is an important molecule
– Delfin
Dec 9 at 19:38




Yes .. But that one is an important molecule
– Delfin
Dec 9 at 19:38










2 Answers
2






active

oldest

votes


















13














I've struggled with How Mathematica expects the end-user to interact with knowledge databases for quite some time. While this solution is likely not universal, it has been reasonably successful for many of my searches.



Using CTRL= to perform a free-form Wolfram Language input followed by using CanonicalName typically provides the appropriate string to conduct additional property searches:



enter image description here



Jason B. notes in the comments that one can obtain the same information programmatically through Interpreter["Chemical"]["lactic acid"]. I've included it in the answer in case the comments get removed in the future.






share|improve this answer



















  • 3




    For a programmatic way to get the entity, you can use Interpreter["Chemical"]["lactic acid"].
    – Jason B.
    Dec 8 at 16:48






  • 2




    Thankfully, one is not forced to refer to citric acid as LemonAcid.
    – David Richerby
    Dec 8 at 22:24










  • @DavidRicherby Seriously!
    – bobthechemist
    Dec 8 at 22:53










  • Actually, in Swedish, lactic acid is called mjölksyra (milk acid).
    – Andreas Rejbrand
    Dec 8 at 23:33












  • @bobthechemist Totally off subject but I have seen it before and am clueless on how you make an animation to use in your answer. Can you guide me?
    – Jack LaVigne
    Dec 12 at 0:04



















5














ChemicalData[!(*

TagBox[

StyleBox[

RowBox[{"Entity", "[", 

RowBox[{""<Chemical>"", ",", ""<MilkAcid>""}], "]"}],

ShowSpecialCharacters->False,

ShowStringCharacters->True,

NumberMarks->True],

FullForm]), "MoleculePlot"]


or



Entity["Chemical", "MilkAcid"];



ChemicalData[%,"MolecularPlot"]


enter image description here






share|improve this answer























  • But if you already know the correct name (in this case, "MilkAcid"), why not instead just use ChemicalData["MilkAcid", "MoleculePlot"]?
    – theorist
    Dec 19 at 22:46













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2 Answers
2






active

oldest

votes








2 Answers
2






active

oldest

votes









active

oldest

votes






active

oldest

votes









13














I've struggled with How Mathematica expects the end-user to interact with knowledge databases for quite some time. While this solution is likely not universal, it has been reasonably successful for many of my searches.



Using CTRL= to perform a free-form Wolfram Language input followed by using CanonicalName typically provides the appropriate string to conduct additional property searches:



enter image description here



Jason B. notes in the comments that one can obtain the same information programmatically through Interpreter["Chemical"]["lactic acid"]. I've included it in the answer in case the comments get removed in the future.






share|improve this answer



















  • 3




    For a programmatic way to get the entity, you can use Interpreter["Chemical"]["lactic acid"].
    – Jason B.
    Dec 8 at 16:48






  • 2




    Thankfully, one is not forced to refer to citric acid as LemonAcid.
    – David Richerby
    Dec 8 at 22:24










  • @DavidRicherby Seriously!
    – bobthechemist
    Dec 8 at 22:53










  • Actually, in Swedish, lactic acid is called mjölksyra (milk acid).
    – Andreas Rejbrand
    Dec 8 at 23:33












  • @bobthechemist Totally off subject but I have seen it before and am clueless on how you make an animation to use in your answer. Can you guide me?
    – Jack LaVigne
    Dec 12 at 0:04
















13














I've struggled with How Mathematica expects the end-user to interact with knowledge databases for quite some time. While this solution is likely not universal, it has been reasonably successful for many of my searches.



Using CTRL= to perform a free-form Wolfram Language input followed by using CanonicalName typically provides the appropriate string to conduct additional property searches:



enter image description here



Jason B. notes in the comments that one can obtain the same information programmatically through Interpreter["Chemical"]["lactic acid"]. I've included it in the answer in case the comments get removed in the future.






share|improve this answer



















  • 3




    For a programmatic way to get the entity, you can use Interpreter["Chemical"]["lactic acid"].
    – Jason B.
    Dec 8 at 16:48






  • 2




    Thankfully, one is not forced to refer to citric acid as LemonAcid.
    – David Richerby
    Dec 8 at 22:24










  • @DavidRicherby Seriously!
    – bobthechemist
    Dec 8 at 22:53










  • Actually, in Swedish, lactic acid is called mjölksyra (milk acid).
    – Andreas Rejbrand
    Dec 8 at 23:33












  • @bobthechemist Totally off subject but I have seen it before and am clueless on how you make an animation to use in your answer. Can you guide me?
    – Jack LaVigne
    Dec 12 at 0:04














13












13








13






I've struggled with How Mathematica expects the end-user to interact with knowledge databases for quite some time. While this solution is likely not universal, it has been reasonably successful for many of my searches.



Using CTRL= to perform a free-form Wolfram Language input followed by using CanonicalName typically provides the appropriate string to conduct additional property searches:



enter image description here



Jason B. notes in the comments that one can obtain the same information programmatically through Interpreter["Chemical"]["lactic acid"]. I've included it in the answer in case the comments get removed in the future.






share|improve this answer














I've struggled with How Mathematica expects the end-user to interact with knowledge databases for quite some time. While this solution is likely not universal, it has been reasonably successful for many of my searches.



Using CTRL= to perform a free-form Wolfram Language input followed by using CanonicalName typically provides the appropriate string to conduct additional property searches:



enter image description here



Jason B. notes in the comments that one can obtain the same information programmatically through Interpreter["Chemical"]["lactic acid"]. I've included it in the answer in case the comments get removed in the future.







share|improve this answer














share|improve this answer



share|improve this answer








edited Dec 8 at 21:12

























answered Dec 8 at 13:26









bobthechemist

14.5k442112




14.5k442112








  • 3




    For a programmatic way to get the entity, you can use Interpreter["Chemical"]["lactic acid"].
    – Jason B.
    Dec 8 at 16:48






  • 2




    Thankfully, one is not forced to refer to citric acid as LemonAcid.
    – David Richerby
    Dec 8 at 22:24










  • @DavidRicherby Seriously!
    – bobthechemist
    Dec 8 at 22:53










  • Actually, in Swedish, lactic acid is called mjölksyra (milk acid).
    – Andreas Rejbrand
    Dec 8 at 23:33












  • @bobthechemist Totally off subject but I have seen it before and am clueless on how you make an animation to use in your answer. Can you guide me?
    – Jack LaVigne
    Dec 12 at 0:04














  • 3




    For a programmatic way to get the entity, you can use Interpreter["Chemical"]["lactic acid"].
    – Jason B.
    Dec 8 at 16:48






  • 2




    Thankfully, one is not forced to refer to citric acid as LemonAcid.
    – David Richerby
    Dec 8 at 22:24










  • @DavidRicherby Seriously!
    – bobthechemist
    Dec 8 at 22:53










  • Actually, in Swedish, lactic acid is called mjölksyra (milk acid).
    – Andreas Rejbrand
    Dec 8 at 23:33












  • @bobthechemist Totally off subject but I have seen it before and am clueless on how you make an animation to use in your answer. Can you guide me?
    – Jack LaVigne
    Dec 12 at 0:04








3




3




For a programmatic way to get the entity, you can use Interpreter["Chemical"]["lactic acid"].
– Jason B.
Dec 8 at 16:48




For a programmatic way to get the entity, you can use Interpreter["Chemical"]["lactic acid"].
– Jason B.
Dec 8 at 16:48




2




2




Thankfully, one is not forced to refer to citric acid as LemonAcid.
– David Richerby
Dec 8 at 22:24




Thankfully, one is not forced to refer to citric acid as LemonAcid.
– David Richerby
Dec 8 at 22:24












@DavidRicherby Seriously!
– bobthechemist
Dec 8 at 22:53




@DavidRicherby Seriously!
– bobthechemist
Dec 8 at 22:53












Actually, in Swedish, lactic acid is called mjölksyra (milk acid).
– Andreas Rejbrand
Dec 8 at 23:33






Actually, in Swedish, lactic acid is called mjölksyra (milk acid).
– Andreas Rejbrand
Dec 8 at 23:33














@bobthechemist Totally off subject but I have seen it before and am clueless on how you make an animation to use in your answer. Can you guide me?
– Jack LaVigne
Dec 12 at 0:04




@bobthechemist Totally off subject but I have seen it before and am clueless on how you make an animation to use in your answer. Can you guide me?
– Jack LaVigne
Dec 12 at 0:04











5














ChemicalData[!(*

TagBox[

StyleBox[

RowBox[{"Entity", "[", 

RowBox[{""<Chemical>"", ",", ""<MilkAcid>""}], "]"}],

ShowSpecialCharacters->False,

ShowStringCharacters->True,

NumberMarks->True],

FullForm]), "MoleculePlot"]


or



Entity["Chemical", "MilkAcid"];



ChemicalData[%,"MolecularPlot"]


enter image description here






share|improve this answer























  • But if you already know the correct name (in this case, "MilkAcid"), why not instead just use ChemicalData["MilkAcid", "MoleculePlot"]?
    – theorist
    Dec 19 at 22:46


















5














ChemicalData[!(*

TagBox[

StyleBox[

RowBox[{"Entity", "[", 

RowBox[{""<Chemical>"", ",", ""<MilkAcid>""}], "]"}],

ShowSpecialCharacters->False,

ShowStringCharacters->True,

NumberMarks->True],

FullForm]), "MoleculePlot"]


or



Entity["Chemical", "MilkAcid"];



ChemicalData[%,"MolecularPlot"]


enter image description here






share|improve this answer























  • But if you already know the correct name (in this case, "MilkAcid"), why not instead just use ChemicalData["MilkAcid", "MoleculePlot"]?
    – theorist
    Dec 19 at 22:46
















5












5








5






ChemicalData[!(*

TagBox[

StyleBox[

RowBox[{"Entity", "[", 

RowBox[{""<Chemical>"", ",", ""<MilkAcid>""}], "]"}],

ShowSpecialCharacters->False,

ShowStringCharacters->True,

NumberMarks->True],

FullForm]), "MoleculePlot"]


or



Entity["Chemical", "MilkAcid"];



ChemicalData[%,"MolecularPlot"]


enter image description here






share|improve this answer














ChemicalData[!(*

TagBox[

StyleBox[

RowBox[{"Entity", "[", 

RowBox[{""<Chemical>"", ",", ""<MilkAcid>""}], "]"}],

ShowSpecialCharacters->False,

ShowStringCharacters->True,

NumberMarks->True],

FullForm]), "MoleculePlot"]


or



Entity["Chemical", "MilkAcid"];



ChemicalData[%,"MolecularPlot"]


enter image description here







share|improve this answer














share|improve this answer



share|improve this answer








edited Dec 8 at 12:00

























answered Dec 8 at 11:45









David G. Stork

23k22051




23k22051












  • But if you already know the correct name (in this case, "MilkAcid"), why not instead just use ChemicalData["MilkAcid", "MoleculePlot"]?
    – theorist
    Dec 19 at 22:46




















  • But if you already know the correct name (in this case, "MilkAcid"), why not instead just use ChemicalData["MilkAcid", "MoleculePlot"]?
    – theorist
    Dec 19 at 22:46


















But if you already know the correct name (in this case, "MilkAcid"), why not instead just use ChemicalData["MilkAcid", "MoleculePlot"]?
– theorist
Dec 19 at 22:46






But if you already know the correct name (in this case, "MilkAcid"), why not instead just use ChemicalData["MilkAcid", "MoleculePlot"]?
– theorist
Dec 19 at 22:46




















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