Difference between revisions of "CPD-12218"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-17778 RXN-17778] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy.org/EC/...")
 
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
−
[[Category:Reaction]]
+
[[Category:Metabolite]]
−
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-17778 RXN-17778] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12218 CPD-12218] ==
−
* direction:
+
* smiles:
−
** LEFT-TO-RIGHT
+
** C(CC(O)C1(=CC=CC=C1))([O-])=O
−
* ec number:
+
* molecular weight:
−
** [http://enzyme.expasy.org/EC/2.3.1.16 EC-2.3.1.16]
+
** 165.168   
 +
* inchi key:
 +
** InChIKey=AYOLELPCNDVZKZ-UHFFFAOYSA-M
 +
* common name:
 +
** 3-hydroxy-3-phenylpropanoate
 
* Synonym(s):
 
* Synonym(s):
 +
** 3-hydroxy-3-phenyl propionic acid
 +
** 3-hydroxy-3-phenylpropionate
 +
** beta-hydroxyphenylpropionic acid
 +
** 3-hydroxy-3-phenylpropanoic acid
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
* [[RXN-11270]]
−
** 1 [[CPD-19169]][c] '''+''' 1 [[CO-A]][c] '''=>''' 1 [[CPD-19144]][c] '''+''' 1 [[ACETYL-COA]][c]
+
== Reaction(s) known to produce the compound ==
−
* With common name(s):
+
* [[RXN-11269]]
−
** 1 3-oxo-(9Z)-octadecenoyl-CoA[c] '''+''' 1 coenzyme A[c] '''=>''' 1 (7Z)-hexadecenoyl-CoA[c] '''+''' 1 acetyl-CoA[c]
+
== Reaction(s) of unknown directionality ==
−
 
+
−
== Genes associated with this reaction  ==
+
−
Genes have been associated with this reaction based on different elements listed below.
+
−
* [[CHC_T00009422001_1]]
+
−
** [[pantograph]]-[[galdieria.sulphuraria]]
+
−
* [[CHC_T00009349001_1]]
+
−
** [[pantograph]]-[[galdieria.sulphuraria]]
+
−
== Pathways  ==
+
−
== Reconstruction information  ==
+
−
* [[orthology]]:
+
−
** [[pantograph]]:
+
−
*** [[galdieria.sulphuraria]]
+
 
== External links  ==
 
== External links  ==
−
{{#set: direction=LEFT-TO-RIGHT}}
+
* CHEBI:
−
{{#set: ec number=EC-2.3.1.16}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=63469 63469]
−
{{#set: gene associated=CHC_T00009422001_1|CHC_T00009349001_1}}
+
* PUBCHEM:
−
{{#set: in pathway=}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=22328018 22328018]
−
{{#set: reconstruction category=orthology}}
+
* CHEMSPIDER:
−
{{#set: reconstruction tool=pantograph}}
+
** [http://www.chemspider.com/Chemical-Structure.11347248.html 11347248]
−
{{#set: reconstruction source=galdieria.sulphuraria}}
+
{{#set: smiles=C(CC(O)C1(=CC=CC=C1))([O-])=O}}
 +
{{#set: molecular weight=165.168    }}
 +
{{#set: inchi key=InChIKey=AYOLELPCNDVZKZ-UHFFFAOYSA-M}}
 +
{{#set: common name=3-hydroxy-3-phenylpropanoate}}
 +
{{#set: common name=3-hydroxy-3-phenyl propionic acid|3-hydroxy-3-phenylpropionate|beta-hydroxyphenylpropionic acid|3-hydroxy-3-phenylpropanoic acid}}
 +
{{#set: consumed by=RXN-11270}}
 +
{{#set: produced by=RXN-11269}}

Latest revision as of 16:41, 9 January 2019

Metabolite CPD-12218

  • smiles:
    • C(CC(O)C1(=CC=CC=C1))([O-])=O
  • molecular weight:
    • 165.168
  • inchi key:
    • InChIKey=AYOLELPCNDVZKZ-UHFFFAOYSA-M
  • common name:
    • 3-hydroxy-3-phenylpropanoate
  • Synonym(s):
    • 3-hydroxy-3-phenyl propionic acid
    • 3-hydroxy-3-phenylpropionate
    • beta-hydroxyphenylpropionic acid
    • 3-hydroxy-3-phenylpropanoic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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




Retrieved from "http://gem-aureme.irisa.fr/ccrgem/index.php?title=CPD-12218&oldid=22130"