Difference between revisions of "BENZOATE"

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

Latest revision as of 20:17, 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.




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