Difference between revisions of "ISOCHORISMATE"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14828 CPD-14828] == * smiles: ** C(C(O)COP([O-])(=O)[O-])OC(CCCCCCCCCCCCCCC(=O)[O-])=O * in...")
(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) * inchi ke...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14828 CPD-14828] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ISOCHORISMATE ISOCHORISMATE] ==
 
* smiles:
 
* smiles:
−
** C(C(O)COP([O-])(=O)[O-])OC(CCCCCCCCCCCCCCC(=O)[O-])=O
+
** C=C(C(=O)[O-])OC1(C=CC=C(C1O)C([O-])=O)
 
* inchi key:
 
* inchi key:
−
** InChIKey=LSETUZAYSCHYKL-QGZVFWFLSA-K
+
** InChIKey=NTGWPRCCOQCMGE-YUMQZZPRSA-L
 
* common name:
 
* common name:
−
** 1-C16:0-α,ω-dicarboxyl-2-lysophosphatidate
+
** isochorismate
 
* molecular weight:
 
* molecular weight:
−
** 437.446    
+
** 224.17    
 
* Synonym(s):
 
* Synonym(s):
−
** sn-1-C16:0-DCA-LPA
+
** Isochorismic acid
−
** 1-C16:0-DCA-2-LPA
+
−
** 1-α,ω-hexadecanedioyl-2-lysophosphatidic acid
+
−
** 1-α,ω-hexadecanedioyl-glycerol-3-phosphate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-13805]]
+
* [[ISOCHORSYN-RXN]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 22642-82-6
 +
* DRUGBANK : DB02793
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658529 90658529]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460580 5460580]
−
{{#set: smiles=C(C(O)COP([O-])(=O)[O-])OC(CCCCCCCCCCCCCCC(=O)[O-])=O}}
+
* LIGAND-CPD:
−
{{#set: inchi key=InChIKey=LSETUZAYSCHYKL-QGZVFWFLSA-K}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C00885 C00885]
−
{{#set: common name=1-C16:0-α,ω-dicarboxyl-2-lysophosphatidate}}
+
* CHEMSPIDER:
−
{{#set: molecular weight=437.446   }}
+
** [http://www.chemspider.com/Chemical-Structure.4574080.html 4574080]
−
{{#set: common name=sn-1-C16:0-DCA-LPA|1-C16:0-DCA-2-LPA|1-α,ω-hexadecanedioyl-2-lysophosphatidic acid|1-α,ω-hexadecanedioyl-glycerol-3-phosphate}}
+
* CHEBI:
−
{{#set: reversible reaction associated=RXN-13805}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=29780 29780]
 +
* BIGG : 36293
 +
{{#set: smiles=C=C(C(=O)[O-])OC1(C=CC=C(C1O)C([O-])=O)}}
 +
{{#set: inchi key=InChIKey=NTGWPRCCOQCMGE-YUMQZZPRSA-L}}
 +
{{#set: common name=isochorismate}}
 +
{{#set: molecular weight=224.17   }}
 +
{{#set: common name=Isochorismic acid}}
 +
{{#set: reversible reaction associated=ISOCHORSYN-RXN}}

Latest revision as of 19:24, 21 March 2018

Metabolite ISOCHORISMATE

  • smiles:
    • C=C(C(=O)[O-])OC1(C=CC=C(C1O)C([O-])=O)
  • inchi key:
    • InChIKey=NTGWPRCCOQCMGE-YUMQZZPRSA-L
  • common name:
    • isochorismate
  • 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.



Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=ISOCHORISMATE&oldid=26721"