Difference between revisions of "CYANURIC-ACID"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14404 CPD-14404] == * smiles: ** CCCCCC=CCC=CCC=CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CYANURIC-ACID CYANURIC-ACID] == * smiles: ** C1(O)(=NC(O)=NC(O)=N1) * common name: ** cyanurate...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14404 CPD-14404] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CYANURIC-ACID CYANURIC-ACID] ==
 
* smiles:
 
* smiles:
−
** CCCCCC=CCC=CCC=CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
+
** C1(O)(=NC(O)=NC(O)=N1)
−
* inchi key:
+
−
** InChIKey=DJFXNRBQUUFIOS-DDQUOPDJSA-J
+
 
* common name:
 
* common name:
−
** 3-oxo-dihomo γ-linolenoyl-CoA
+
** cyanurate
 +
* inchi key:
 +
** InChIKey=ZFSLODLOARCGLH-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 1065.958    
+
** 129.075    
 
* Synonym(s):
 
* Synonym(s):
−
** (8Z,11Z,14Z)-3-oxo-icosa-8,11,14-trienoyl-CoA
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** cyanuric acid
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** (8Z,11Z,14Z)-3-oxo-icosatrienoyl-CoA
+
** 2,4,6-trihydroxy-s-triazine
 +
** sym-triazine-2,4,6-triol
 +
** 1,3,5-triazine-2,4,6-triol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-12968]]
+
* [[R468-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=70698343 70698343]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7956 7956]
 +
* CAS : 108-80-5
 +
* NCI:
 +
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=6284 6284]
 +
* HMDB : HMDB41861
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C06554 C06554]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.7668.html 7668]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71481 71481]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=38028 38028]
−
{{#set: smiles=CCCCCC=CCC=CCC=CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
+
{{#set: smiles=C1(O)(=NC(O)=NC(O)=N1)}}
−
{{#set: inchi key=InChIKey=DJFXNRBQUUFIOS-DDQUOPDJSA-J}}
+
{{#set: common name=cyanurate}}
−
{{#set: common name=3-oxo-dihomo γ-linolenoyl-CoA}}
+
{{#set: inchi key=InChIKey=ZFSLODLOARCGLH-UHFFFAOYSA-N}}
−
{{#set: molecular weight=1065.958   }}
+
{{#set: molecular weight=129.075   }}
−
{{#set: common name=(8Z,11Z,14Z)-3-oxo-icosa-8,11,14-trienoyl-CoA|(8Z,11Z,14Z)-3-oxo-icosatrienoyl-CoA}}
+
{{#set: common name=cyanuric acid|2,4,6-trihydroxy-s-triazine|sym-triazine-2,4,6-triol|1,3,5-triazine-2,4,6-triol}}
−
{{#set: consumed by=RXN-12968}}
+
{{#set: consumed by=R468-RXN}}

Latest revision as of 19:08, 21 March 2018

Metabolite CYANURIC-ACID

  • smiles:
    • C1(O)(=NC(O)=NC(O)=N1)
  • common name:
    • cyanurate
  • inchi key:
    • InChIKey=ZFSLODLOARCGLH-UHFFFAOYSA-N
  • molecular weight:
    • 129.075
  • Synonym(s):
    • cyanuric acid
    • 2,4,6-trihydroxy-s-triazine
    • sym-triazine-2,4,6-triol
    • 1,3,5-triazine-2,4,6-triol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




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