Difference between revisions of "CPD-659"

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(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(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-659 CPD-659] == * smiles: ** C(C(CC1(C=CC(C=C1)O)C([O-])=O)[N+])([O-])=O * common name: **...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-ALPHA-HYDROXYETHYL-THPP 2-ALPHA-HYDROXYETHYL-THPP] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-659 CPD-659] ==
 
* smiles:
 
* smiles:
−
** CC2(=C(SC(C(C)O)=[N+](CC1(C=NC(C)=NC(N)=1))2)CCOP(=O)([O-])OP(=O)([O-])[O-])
+
** C(C(CC1(C=CC(C=C1)O)C([O-])=O)[N+])([O-])=O
−
* inchi key:
+
−
** InChIKey=RRUVJGASJONMDY-UHFFFAOYSA-L
+
 
* common name:
 
* common name:
−
** 2-(α-hydroxyethyl)thiamine diphosphate
+
** L-arogenate
 +
* inchi key:
 +
** InChIKey=MIEILDYWGANZNH-DSQUFTABSA-M
 
* molecular weight:
 
* molecular weight:
−
** 466.341    
+
** 226.208    
 
* Synonym(s):
 
* Synonym(s):
−
** 2-(α-hydroxyethyl)-TPP
+
** L-arogenic acid
−
** 2-(α-hydroxyethyl)-ThPP
+
** pretyrosine
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-12508]]
+
* [[CYCLOHEXADIENYL-DEHYDROGENASE-RXN]]
 +
* [[RXN-5682]]
 
== 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-14476]]
 +
* [[PREPHENATE-ASP-TRANSAMINE-RXN]]
 +
* [[PREPHENATE-TRANSAMINE-RXN]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 53078-86-7
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46878487 46878487]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244469 25244469]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58939 58939]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58180 58180]
−
{{#set: smiles=CC2(=C(SC(C(C)O)=[N+](CC1(C=NC(C)=NC(N)=1))2)CCOP(=O)([O-])OP(=O)([O-])[O-])}}
+
* LIGAND-CPD:
−
{{#set: inchi key=InChIKey=RRUVJGASJONMDY-UHFFFAOYSA-L}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C00826 C00826]
−
{{#set: common name=2-(α-hydroxyethyl)thiamine diphosphate}}
+
{{#set: smiles=C(C(CC1(C=CC(C=C1)O)C([O-])=O)[N+])([O-])=O}}
−
{{#set: molecular weight=466.341   }}
+
{{#set: common name=L-arogenate}}
−
{{#set: common name=2-(α-hydroxyethyl)-TPP|2-(α-hydroxyethyl)-ThPP}}
+
{{#set: inchi key=InChIKey=MIEILDYWGANZNH-DSQUFTABSA-M}}
−
{{#set: consumed by=RXN-12508}}
+
{{#set: molecular weight=226.208   }}
−
{{#set: produced by=RXN-12583}}
+
{{#set: common name=L-arogenic acid|pretyrosine}}
 +
{{#set: consumed by=CYCLOHEXADIENYL-DEHYDROGENASE-RXN|RXN-5682}}
 +
{{#set: reversible reaction associated=RXN-14476|PREPHENATE-ASP-TRANSAMINE-RXN|PREPHENATE-TRANSAMINE-RXN}}

Latest revision as of 20:43, 21 March 2018

Metabolite CPD-659

  • smiles:
    • C(C(CC1(C=CC(C=C1)O)C([O-])=O)[N+])([O-])=O
  • common name:
    • L-arogenate
  • inchi key:
    • InChIKey=MIEILDYWGANZNH-DSQUFTABSA-M
  • molecular weight:
    • 226.208
  • Synonym(s):
    • L-arogenic acid
    • pretyrosine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(C(CC1(C=CC(C=C1)O)C([O-])=O)[N+])([O-])=O" cannot be used as a page name in this wiki.




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