Difference between revisions of "2-ALPHA-HYDROXYETHYL-THPP"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12327 CPD-12327] == * smiles: ** CCCC#N * common name: ** n-butyronitrile * inchi key: ** I...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-ALPHA-HYDROXYETHYL-THPP 2-ALPHA-HYDROXYETHYL-THPP] == * smiles: ** CC2(=C(SC(C(C)O)=[N+](CC1(...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12327 CPD-12327] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-ALPHA-HYDROXYETHYL-THPP 2-ALPHA-HYDROXYETHYL-THPP] ==
 
* smiles:
 
* smiles:
−
** CCCC#N
+
** CC2(=C(SC(C(C)O)=[N+](CC1(C=NC(C)=NC(N)=1))2)CCOP(=O)([O-])OP(=O)([O-])[O-])
 
* common name:
 
* common name:
−
** n-butyronitrile
+
** 2-(α-hydroxyethyl)thiamine diphosphate
 
* inchi key:
 
* inchi key:
−
** InChIKey=KVNRLNFWIYMESJ-UHFFFAOYSA-N
+
** InChIKey=RRUVJGASJONMDY-UHFFFAOYSA-L
 
* molecular weight:
 
* molecular weight:
−
** 69.106    
+
** 466.341    
 
* Synonym(s):
 
* Synonym(s):
−
** 1-cyanopropane
+
** 2-(α-hydroxyethyl)-TPP
−
** n-propyl cyanide
+
** 2-(α-hydroxyethyl)-ThPP
−
** propyl cyanide
+
−
** butyronitrile
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-14726]]
+
* [[RXN-12508]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-12583]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-14037]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=8008 8008]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46878487 46878487]
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.7717.html 7717]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=51937 51937]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58939 58939]
−
{{#set: smiles=CCCC#N}}
+
{{#set: smiles=CC2(=C(SC(C(C)O)=[N+](CC1(C=NC(C)=NC(N)=1))2)CCOP(=O)([O-])OP(=O)([O-])[O-])}}
−
{{#set: common name=n-butyronitrile}}
+
{{#set: common name=2-(α-hydroxyethyl)thiamine diphosphate}}
−
{{#set: inchi key=InChIKey=KVNRLNFWIYMESJ-UHFFFAOYSA-N}}
+
{{#set: inchi key=InChIKey=RRUVJGASJONMDY-UHFFFAOYSA-L}}
−
{{#set: molecular weight=69.106   }}
+
{{#set: molecular weight=466.341   }}
−
{{#set: common name=1-cyanopropane|n-propyl cyanide|propyl cyanide|butyronitrile}}
+
{{#set: common name=2-(α-hydroxyethyl)-TPP|2-(α-hydroxyethyl)-ThPP}}
−
{{#set: consumed by=RXN-14726}}
+
{{#set: consumed by=RXN-12508}}
 +
{{#set: produced by=RXN-12583}}
 +
{{#set: reversible reaction associated=RXN-14037}}

Latest revision as of 21:05, 21 March 2018

Metabolite 2-ALPHA-HYDROXYETHYL-THPP

  • smiles:
    • CC2(=C(SC(C(C)O)=[N+](CC1(C=NC(C)=NC(N)=1))2)CCOP(=O)([O-])OP(=O)([O-])[O-])
  • common name:
    • 2-(α-hydroxyethyl)thiamine diphosphate
  • inchi key:
    • InChIKey=RRUVJGASJONMDY-UHFFFAOYSA-L
  • molecular weight:
    • 466.341
  • Synonym(s):
    • 2-(α-hydroxyethyl)-TPP
    • 2-(α-hydroxyethyl)-ThPP

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC2(=C(SC(C(C)O)=[N+](CC1(C=NC(C)=NC(N)=1))2)CCOP(=O)([O-])OP(=O)([O-])[O-])" cannot be used as a page name in this wiki.




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