Chemical data of Lactic acid











up vote
5
down vote

favorite
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.










share|improve this question
























  • No database of molecules is complete.
    – Loong
    2 days ago










  • Yes .. But that one is an important molecule
    – Delfin
    2 days ago















up vote
5
down vote

favorite
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.










share|improve this question
























  • No database of molecules is complete.
    – Loong
    2 days ago










  • Yes .. But that one is an important molecule
    – Delfin
    2 days ago













up vote
5
down vote

favorite
1









up vote
5
down vote

favorite
1






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.










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






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

22.8k22051




22.8k22051










asked Dec 8 at 11:37









Delfin

484




484












  • No database of molecules is complete.
    – Loong
    2 days ago










  • Yes .. But that one is an important molecule
    – Delfin
    2 days ago


















  • No database of molecules is complete.
    – Loong
    2 days ago










  • Yes .. But that one is an important molecule
    – Delfin
    2 days ago
















No database of molecules is complete.
– Loong
2 days ago




No database of molecules is complete.
– Loong
2 days ago












Yes .. But that one is an important molecule
– Delfin
2 days ago




Yes .. But that one is an important molecule
– Delfin
2 days ago










2 Answers
2






active

oldest

votes

















up vote
11
down vote













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
    7 hours ago


















up vote
5
down vote













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























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    2 Answers
    2






    active

    oldest

    votes








    2 Answers
    2






    active

    oldest

    votes









    active

    oldest

    votes






    active

    oldest

    votes








    up vote
    11
    down vote













    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
      7 hours ago















    up vote
    11
    down vote













    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
      7 hours ago













    up vote
    11
    down vote










    up vote
    11
    down vote









    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

    14.4k442112




    14.4k442112








    • 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
      7 hours ago














    • 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
      7 hours ago








    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
    7 hours ago




    @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
    7 hours ago










    up vote
    5
    down vote













    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



























      up vote
      5
      down vote













      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

























        up vote
        5
        down vote










        up vote
        5
        down vote









        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

        22.8k22051




        22.8k22051






























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