Chemical data of Lactic acid
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
edited Dec 8 at 11:50
David G. Stork
23k22051
asked Dec 8 at 11:37
Delfin
757
add a comment |
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
edited Dec 8 at 11:50
David G. Stork
23k22051
asked Dec 8 at 11:37
Delfin
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
add a comment |
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
edited Dec 8 at 11:50
David G. Stork
23k22051
asked Dec 8 at 11:37
Delfin
757
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
edited Dec 8 at 11:50
David G. Stork
23k22051
asked Dec 8 at 11:37
Delfin
757
edited Dec 8 at 11:50
David G. Stork
23k22051
asked Dec 8 at 11:37
Delfin
757
edited Dec 8 at 11:50
David G. Stork
23k22051
edited Dec 8 at 11:50
David G. Stork
23k22051
edited Dec 8 at 11:50
David G. Stork
23k22051
23k22051
asked Dec 8 at 11:37
Delfin
757
asked Dec 8 at 11:37
Delfin
757
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
add a comment |
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
add a comment |
2 Answers
2
active
oldest
votes
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:
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.
answered Dec 8 at 13:26
bobthechemist
14.5k442112
3
For a programmatic way to get the entity, you can useInterpreter["Chemical"]["lactic acid"].
– Jason B.
Dec 8 at 16:48
2
Thankfully, one is not forced to refer to citric acid asLemonAcid.
– 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
|
show 2 more comments
ChemicalData[!(*
TagBox[
StyleBox[
RowBox[{"Entity", "[",
RowBox[{""<Chemical>"", ",", ""<MilkAcid>""}], "]"}],
ShowSpecialCharacters->False,
ShowStringCharacters->True,
NumberMarks->True],
FullForm]), "MoleculePlot"]
or
Entity["Chemical", "MilkAcid"];
ChemicalData[%,"MolecularPlot"]
answered Dec 8 at 11:45
David G. Stork
23k22051
But if you already know the correct name (in this case, "MilkAcid"), why not instead just useChemicalData["MilkAcid", "MoleculePlot"]?
– theorist
Dec 19 at 22:46
add a comment |
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2 Answers
2
active
oldest
votes
2 Answers
2
active
oldest
votes
active
oldest
votes
active
oldest
votes
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:
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.
answered Dec 8 at 13:26
bobthechemist
14.5k442112
3
For a programmatic way to get the entity, you can useInterpreter["Chemical"]["lactic acid"].
– Jason B.
Dec 8 at 16:48
2
Thankfully, one is not forced to refer to citric acid asLemonAcid.
– 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
|
show 2 more comments
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:
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.
answered Dec 8 at 13:26
bobthechemist
14.5k442112
3
For a programmatic way to get the entity, you can useInterpreter["Chemical"]["lactic acid"].
– Jason B.
Dec 8 at 16:48
2
Thankfully, one is not forced to refer to citric acid asLemonAcid.
– 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
|
show 2 more comments
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:
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.
answered Dec 8 at 13:26
bobthechemist
14.5k442112
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:
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.
answered Dec 8 at 13:26
bobthechemist
14.5k442112
edited Dec 8 at 21:12
answered Dec 8 at 13:26
bobthechemist
14.5k442112
answered Dec 8 at 13:26
bobthechemist
14.5k442112
answered Dec 8 at 13:26
bobthechemist
14.5k442112
14.5k442112
3
For a programmatic way to get the entity, you can useInterpreter["Chemical"]["lactic acid"].
– Jason B.
Dec 8 at 16:48
2
Thankfully, one is not forced to refer to citric acid asLemonAcid.
– 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
|
show 2 more comments
3
For a programmatic way to get the entity, you can useInterpreter["Chemical"]["lactic acid"].
– Jason B.
Dec 8 at 16:48
2
Thankfully, one is not forced to refer to citric acid asLemonAcid.
– 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
|
show 2 more comments
ChemicalData[!(*
TagBox[
StyleBox[
RowBox[{"Entity", "[",
RowBox[{""<Chemical>"", ",", ""<MilkAcid>""}], "]"}],
ShowSpecialCharacters->False,
ShowStringCharacters->True,
NumberMarks->True],
FullForm]), "MoleculePlot"]
or
Entity["Chemical", "MilkAcid"];
ChemicalData[%,"MolecularPlot"]
answered Dec 8 at 11:45
David G. Stork
23k22051
But if you already know the correct name (in this case, "MilkAcid"), why not instead just useChemicalData["MilkAcid", "MoleculePlot"]?
– theorist
Dec 19 at 22:46
add a comment |
ChemicalData[!(*
TagBox[
StyleBox[
RowBox[{"Entity", "[",
RowBox[{""<Chemical>"", ",", ""<MilkAcid>""}], "]"}],
ShowSpecialCharacters->False,
ShowStringCharacters->True,
NumberMarks->True],
FullForm]), "MoleculePlot"]
or
Entity["Chemical", "MilkAcid"];
ChemicalData[%,"MolecularPlot"]
answered Dec 8 at 11:45
David G. Stork
23k22051
But if you already know the correct name (in this case, "MilkAcid"), why not instead just useChemicalData["MilkAcid", "MoleculePlot"]?
– theorist
Dec 19 at 22:46
add a comment |
ChemicalData[!(*
TagBox[
StyleBox[
RowBox[{"Entity", "[",
RowBox[{""<Chemical>"", ",", ""<MilkAcid>""}], "]"}],
ShowSpecialCharacters->False,
ShowStringCharacters->True,
NumberMarks->True],
FullForm]), "MoleculePlot"]
or
Entity["Chemical", "MilkAcid"];
ChemicalData[%,"MolecularPlot"]
answered Dec 8 at 11:45
David G. Stork
23k22051
ChemicalData[!(*
TagBox[
StyleBox[
RowBox[{"Entity", "[",
RowBox[{""<Chemical>"", ",", ""<MilkAcid>""}], "]"}],
ShowSpecialCharacters->False,
ShowStringCharacters->True,
NumberMarks->True],
FullForm]), "MoleculePlot"]
or
Entity["Chemical", "MilkAcid"];
ChemicalData[%,"MolecularPlot"]
answered Dec 8 at 11:45
David G. Stork
23k22051
edited Dec 8 at 12:00
answered Dec 8 at 11:45
David G. Stork
23k22051
answered Dec 8 at 11:45
David G. Stork
23k22051
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 useChemicalData["MilkAcid", "MoleculePlot"]?
– theorist
Dec 19 at 22:46
add a comment |
But if you already know the correct name (in this case, "MilkAcid"), why not instead just useChemicalData["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
add a comment |
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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