Difference between revisions of "BENZOATE"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=3.1.3.66-RXN 3.1.3.66-RXN] == * direction: ** LEFT-TO-RIGHT * common name: ** type_i_inositol-_-bis...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZOATE BENZOATE] == * smiles: ** C(C1(C=CC=CC=1))([O-])=O * common name: ** benzoate * inchi...")
 
Line 1: Line 1:
−
[[Category:Reaction]]
+
[[Category:Metabolite]]
−
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=3.1.3.66-RXN 3.1.3.66-RXN] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZOATE BENZOATE] ==
−
* direction:
+
* smiles:
−
** LEFT-TO-RIGHT
+
** C(C1(C=CC=CC=1))([O-])=O
 
* common name:
 
* common name:
−
** type_i_inositol-_-bisphosphate_-4
+
** benzoate
−
** inositol3
+
* inchi key:
−
* ec number:
+
** InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-M
−
** [http://enzyme.expasy.org/EC/3.1.3.66 EC-3.1.3.66]
+
* molecular weight:
 +
** 121.115   
 
* Synonym(s):
 
* Synonym(s):
 +
** benzoic acid
 +
** benzenecarboxylic acid
 +
** phenylformic acid
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
== Reaction(s) known to produce the compound ==
−
** 1 [[WATER]][c] '''+''' 1 [[1-PHOSPHATIDYL-1D-MYO-INOSITOL-34-BISPH]][c] '''=>''' 1 [[Pi]][c] '''+''' 1 [[CPD-177]][c]
+
* [[BENZALDEHYDE-DEHYDROGENASE-NADP+-RXN]]
−
* With common name(s):
+
== Reaction(s) of unknown directionality ==
−
** 1 H2O[c] '''+''' 1 a 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate[c] '''=>''' 1 phosphate[c] '''+''' 1 a 1-phosphatidyl-1D-myo-inositol 3-phosphate[c]
+
* [[BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN]]
−
 
+
−
== Genes associated with this reaction  ==
+
−
Genes have been associated with this reaction based on different elements listed below.
+
−
* Gene: [[Tiso_gene_3052]]
+
−
** Source: [[annotation-in-silico_annotation]]
+
−
*** Assignment: EC-NUMBER
+
−
* Gene: [[Tiso_gene_4822]]
+
−
** Source: [[annotation-in-silico_annotation]]
+
−
*** Assignment: EC-NUMBER
+
−
* Gene: [[Tiso_gene_4823]]
+
−
** Source: [[annotation-in-silico_annotation]]
+
−
*** Assignment: EC-NUMBER
+
−
== Pathways  ==
+
−
* [[PWY-6368]], 3-phosphoinositide degradation: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6368 PWY-6368]
+
−
** '''2''' reactions found over '''9''' reactions in the full pathway
+
−
== Reconstruction information  ==
+
−
* Category: [[annotation]]
+
−
** Source: [[annotation-in-silico_annotation]]
+
−
*** Tool: [[pathwaytools]]
+
 
== External links  ==
 
== External links  ==
−
* RHEA:
+
* CAS : 65-85-0
−
** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=17193 17193]
+
* PUBCHEM:
−
* LIGAND-RXN:
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=242 242]
−
** [http://www.genome.jp/dbget-bin/www_bget?R07299 R07299]
+
* HMDB : HMDB01870
−
{{#set: direction=LEFT-TO-RIGHT}}
+
* LIGAND-CPD:
−
{{#set: common name=type_i_inositol-_-bisphosphate_-4}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C00180 C00180]
−
{{#set: common name=inositol3}}
+
* CHEMSPIDER:
−
{{#set: ec number=EC-3.1.3.66}}
+
** [http://www.chemspider.com/Chemical-Structure.237.html 237]
−
{{#set: gene associated=Tiso_gene_3052|Tiso_gene_4822|Tiso_gene_4823}}
+
* CHEBI:
−
{{#set: in pathway=PWY-6368}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16150 16150]
−
{{#set: reconstruction category=annotation}}
+
* METABOLIGHTS : MTBLC16150
−
{{#set: reconstruction source=annotation-in-silico_annotation}}
+
{{#set: smiles=C(C1(C=CC=CC=1))([O-])=O}}
−
{{#set: reconstruction tool=pathwaytools}}
+
{{#set: common name=benzoate}}
 +
{{#set: inchi key=InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-M}}
 +
{{#set: molecular weight=121.115    }}
 +
{{#set: common name=benzoic acid|benzenecarboxylic acid|phenylformic acid}}
 +
{{#set: produced by=BENZALDEHYDE-DEHYDROGENASE-NADP+-RXN}}
 +
{{#set: reversible reaction associated=BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN}}

Latest revision as of 19:17, 21 March 2018

Metabolite BENZOATE

  • smiles:
    • C(C1(C=CC=CC=1))([O-])=O
  • common name:
    • benzoate
  • inchi key:
    • InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-M
  • molecular weight:
    • 121.115
  • Synonym(s):
    • benzoic acid
    • benzenecarboxylic acid
    • phenylformic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 65-85-0
  • PUBCHEM:
  • HMDB : HMDB01870
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC16150
"C(C1(C=CC=CC=1))([O-])=O" cannot be used as a page name in this wiki.




Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=BENZOATE&oldid=40625"