Difference between revisions of "PYRAZIN-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHENYLACETATE PHENYLACETATE] == * smiles: ** C1(=CC=C(C=C1)CC([O-])=O) * inchi key: ** InChIKey...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-133 CPD1F-133] == * smiles: ** CC(=CC=CC=C(C=CC=C(C)C=CC12(C(C)(C)CC(O)CC(O1)(C)2))C)C=CC...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHENYLACETATE PHENYLACETATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-133 CPD1F-133] ==
 
* smiles:
 
* smiles:
** C1(=CC=C(C=C1)CC([O-])=O)
+
** CC(=CC=CC=C(C=CC=C(C)C=CC12(C(C)(C)CC(O)CC(O1)(C)2))C)C=CC=C(C)C=CC34(C(C)(C)CC(O)CC(O3)(C)4)
 
* inchi key:
 
* inchi key:
** InChIKey=WLJVXDMOQOGPHL-UHFFFAOYSA-M
+
** InChIKey=SZCBXWMUOPQSOX-WVJDLNGLSA-N
 
* common name:
 
* common name:
** phenylacetate
+
** violaxanthin
 
* molecular weight:
 
* molecular weight:
** 135.142    
+
** 600.88    
 
* Synonym(s):
 
* Synonym(s):
** 2-phenylacetate
+
** 5,6,5',6'-diepoxy-5,6,5',6'-tetrahydro-β,β-carotene-3,3'-diol
** benzeneacetic acid
+
** phenylacetic acid
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-7984]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-7979]]
 +
* [[RXN-13193]]
 +
* [[ANXANor]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[PHENDEHYD-RXN]]
+
* [[RXN-13185]]
 
== External links  ==
 
== External links  ==
* CAS : 103-82-2
 
* Wikipedia : Phenylacetic_acid
 
* METABOLIGHTS : MTBLC18401
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4409936 4409936]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=448438 448438]
* HMDB : HMDB00209
+
* LIGAND-CPD:
+
** [http://www.genome.jp/dbget-bin/www_bget?C07086 C07086]
+
* CHEMSPIDER:
+
** [http://www.chemspider.com/Chemical-Structure.3610724.html 3610724]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18401 18401]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=35288 35288]
* BIGG : pac
+
* LIGAND-CPD:
{{#set: smiles=C1(=CC=C(C=C1)CC([O-])=O)}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C08614 C08614]
{{#set: inchi key=InChIKey=WLJVXDMOQOGPHL-UHFFFAOYSA-M}}
+
* HMDB : HMDB03101
{{#set: common name=phenylacetate}}
+
{{#set: smiles=CC(=CC=CC=C(C=CC=C(C)C=CC12(C(C)(C)CC(O)CC(O1)(C)2))C)C=CC=C(C)C=CC34(C(C)(C)CC(O)CC(O3)(C)4)}}
{{#set: molecular weight=135.142   }}
+
{{#set: inchi key=InChIKey=SZCBXWMUOPQSOX-WVJDLNGLSA-N}}
{{#set: common name=2-phenylacetate|benzeneacetic acid|phenylacetic acid}}
+
{{#set: common name=violaxanthin}}
{{#set: consumed or produced by=PHENDEHYD-RXN}}
+
{{#set: molecular weight=600.88   }}
 +
{{#set: common name=5,6,5',6'-diepoxy-5,6,5',6'-tetrahydro-β,β-carotene-3,3'-diol}}
 +
{{#set: consumed by=RXN-7984}}
 +
{{#set: produced by=RXN-7979|RXN-13193|ANXANor}}
 +
{{#set: reversible reaction associated=RXN-13185}}

Revision as of 18:04, 18 March 2018

Metabolite CPD1F-133

  • smiles:
    • CC(=CC=CC=C(C=CC=C(C)C=CC12(C(C)(C)CC(O)CC(O1)(C)2))C)C=CC=C(C)C=CC34(C(C)(C)CC(O)CC(O3)(C)4)
  • inchi key:
    • InChIKey=SZCBXWMUOPQSOX-WVJDLNGLSA-N
  • common name:
    • violaxanthin
  • molecular weight:
    • 600.88
  • Synonym(s):
    • 5,6,5',6'-diepoxy-5,6,5',6'-tetrahydro-β,β-carotene-3,3'-diol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links