Difference between revisions of "ISOCHORISMATE"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9544 RXN-9544] == * direction: ** LEFT-TO-RIGHT * common name: ** 3-oxo-stearoyl-CoA-reductase...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ISOCHORISMATE ISOCHORISMATE] == * smiles: ** C=C(C(=O)[O-])OC1(C=CC=C(C1O)C([O-])=O) * common n...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9544 RXN-9544] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ISOCHORISMATE ISOCHORISMATE] ==
* direction:
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* smiles:
** LEFT-TO-RIGHT
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** C=C(C(=O)[O-])OC1(C=CC=C(C1O)C([O-])=O)
 
* common name:
 
* common name:
** 3-oxo-stearoyl-CoA-reductase
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** isochorismate
* ec number:
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* inchi key:
** [http://enzyme.expasy.org/EC/1.1.1 EC-1.1.1]
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** InChIKey=NTGWPRCCOQCMGE-YUMQZZPRSA-L
 +
* molecular weight:
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** 224.17   
 
* Synonym(s):
 
* Synonym(s):
 +
** Isochorismic acid
  
== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
* With identifiers:
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* [[2.5.1.64-RXN]]
** 1 [[NADPH]][c] '''+''' 1 [[PROTON]][c] '''+''' 1 [[CPD-10260]][c] '''=>''' 1 [[CPD-10261]][c] '''+''' 1 [[NADP]][c]
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== Reaction(s) known to produce the compound ==
* With common name(s):
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== Reaction(s) of unknown directionality ==
** 1 NADPH[c] '''+''' 1 H+[c] '''+''' 1 3-oxo-stearoyl-CoA[c] '''=>''' 1 (3R)-3-hydroxy-stearoyl-CoA[c] '''+''' 1 NADP+[c]
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* [[ISOCHORSYN-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_8022]]
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** Source: [[orthology-esiliculosus]]
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* Gene: [[Tiso_gene_13083]]
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** Source: [[orthology-esiliculosus]]
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== Pathways  ==
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* [[PWY-5972]], stearate biosynthesis I (animals and fungi): [http://metacyc.org/META/NEW-IMAGE?object=PWY-5972 PWY-5972]
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** '''4''' reactions found over '''6''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[orthology]]
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** Source: [[orthology-esiliculosus]]
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*** Tool: [[pantograph]]
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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  ==
* LIGAND-RXN:
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* CAS : 22642-82-6
** [http://www.genome.jp/dbget-bin/www_bget?R07759 R07759]
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* DRUGBANK : DB02793
{{#set: direction=LEFT-TO-RIGHT}}
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* PUBCHEM:
{{#set: common name=3-oxo-stearoyl-CoA-reductase}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460580 5460580]
{{#set: ec number=EC-1.1.1}}
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* LIGAND-CPD:
{{#set: gene associated=Tiso_gene_8022|Tiso_gene_13083}}
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** [http://www.genome.jp/dbget-bin/www_bget?C00885 C00885]
{{#set: in pathway=PWY-5972}}
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* CHEMSPIDER:
{{#set: reconstruction category=orthology|annotation}}
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** [http://www.chemspider.com/Chemical-Structure.4574080.html 4574080]
{{#set: reconstruction source=annotation-in-silico_annotation|orthology-esiliculosus}}
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* CHEBI:
{{#set: reconstruction tool=pantograph|pathwaytools}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=29780 29780]
 +
* BIGG : ichor
 +
{{#set: smiles=C=C(C(=O)[O-])OC1(C=CC=C(C1O)C([O-])=O)}}
 +
{{#set: common name=isochorismate}}
 +
{{#set: inchi key=InChIKey=NTGWPRCCOQCMGE-YUMQZZPRSA-L}}
 +
{{#set: molecular weight=224.17    }}
 +
{{#set: common name=Isochorismic acid}}
 +
{{#set: consumed by=2.5.1.64-RXN}}
 +
{{#set: reversible reaction associated=ISOCHORSYN-RXN}}

Latest revision as of 19:41, 21 March 2018

Metabolite ISOCHORISMATE

  • smiles:
    • C=C(C(=O)[O-])OC1(C=CC=C(C1O)C([O-])=O)
  • common name:
    • isochorismate
  • inchi key:
    • InChIKey=NTGWPRCCOQCMGE-YUMQZZPRSA-L
  • molecular weight:
    • 224.17
  • Synonym(s):
    • Isochorismic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C=C(C(=O)[O-])OC1(C=CC=C(C1O)C([O-])=O)" cannot be used as a page name in this wiki.