Difference between revisions of "R-2-HYDROXYSTEARATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CIS-ACONITATE CIS-ACONITATE] == * smiles: ** C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-] * inchi key: *...")
 
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CIS-ACONITATE CIS-ACONITATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=R-2-HYDROXYSTEARATE R-2-HYDROXYSTEARATE] ==
 
* smiles:
 
* smiles:
** C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-]
+
** CCCCCCCCCCCCCCCCC(O)C(=O)[O-]
 +
* molecular weight:
 +
** 299.473   
 
* inchi key:
 
* inchi key:
** InChIKey=GTZCVFVGUGFEME-IWQZZHSRSA-K
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** InChIKey=KIHBGTRZFAVZRV-QGZVFWFLSA-M
 
* common name:
 
* common name:
** cis-aconitate
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** (R)-2-hydroxystearate
* molecular weight:
+
** 171.086   
+
 
* Synonym(s):
 
* Synonym(s):
** (Z)-prop-1-ene-1,2,3-tricarboxylate
 
** cis-aconitic acid
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN66-474-R-2-HYDROXYSTEARATE/ATP/CO-A//CPD-14717/AMP/PPI.48.]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-11820-STEARIC_ACID/HYDROGEN-PEROXIDE//R-2-HYDROXYSTEARATE/WATER.58.]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[ACONITATEHYDR-RXN]]
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* [[ACECOATRANS-RXN-CPD-14717/ACET//R-2-HYDROXYSTEARATE/ACETYL-COA.47.]]
* [[ACONITATEDEHYDR-RXN]]
+
 
== External links  ==
 
== External links  ==
* CAS : 585-84-2
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* CAS : 629-22-1
* METABOLIGHTS : MTBLC16383
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* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459816 5459816]
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* KNAPSACK : C00001177
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* HMDB : HMDB00072
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00417 C00417]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.4573582.html 4573582]
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** [http://www.chemspider.com/Chemical-Structure.13600149.html 13600149]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16383 16383]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57562 57562]
* BIGG : acon_C
+
* LIGAND-CPD:
{{#set: smiles=C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-]}}
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** [http://www.genome.jp/dbget-bin/www_bget?C03042 C03042]
{{#set: inchi key=InChIKey=GTZCVFVGUGFEME-IWQZZHSRSA-K}}
+
* PUBCHEM:
{{#set: common name=cis-aconitate}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21145040 21145040]
{{#set: molecular weight=171.086    }}
+
* NCI:
{{#set: common name=(Z)-prop-1-ene-1,2,3-tricarboxylate|cis-aconitic acid}}
+
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=907 907]
{{#set: consumed or produced by=ACONITATEHYDR-RXN|ACONITATEDEHYDR-RXN}}
+
{{#set: smiles=CCCCCCCCCCCCCCCCC(O)C(=O)[O-]}}
 +
{{#set: molecular weight=299.473    }}
 +
{{#set: inchi key=InChIKey=KIHBGTRZFAVZRV-QGZVFWFLSA-M}}
 +
{{#set: common name=(R)-2-hydroxystearate}}
 +
{{#set: consumed by=RXN66-474-R-2-HYDROXYSTEARATE/ATP/CO-A//CPD-14717/AMP/PPI.48.}}
 +
{{#set: produced by=RXN-11820-STEARIC_ACID/HYDROGEN-PEROXIDE//R-2-HYDROXYSTEARATE/WATER.58.}}
 +
{{#set: reversible reaction associated=ACECOATRANS-RXN-CPD-14717/ACET//R-2-HYDROXYSTEARATE/ACETYL-COA.47.}}

Latest revision as of 17:59, 9 January 2019

Metabolite R-2-HYDROXYSTEARATE

  • smiles:
    • CCCCCCCCCCCCCCCCC(O)C(=O)[O-]
  • molecular weight:
    • 299.473
  • inchi key:
    • InChIKey=KIHBGTRZFAVZRV-QGZVFWFLSA-M
  • common name:
    • (R)-2-hydroxystearate
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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