Difference between revisions of "Ec-01 004520"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ALLANTOATE ALLANTOATE] == * smiles: ** C(C(=O)[O-])(NC(=O)N)NC(=O)N * inchi key: ** InChIKey=NU...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=QUINATE QUINATE] == * smiles: ** C([O-])(=O)C1(O)(CC(O)C(O)C(O)C1) * inchi key: ** InChIKey=AAW...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ALLANTOATE ALLANTOATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=QUINATE QUINATE] ==
 
* smiles:
 
* smiles:
−
** C(C(=O)[O-])(NC(=O)N)NC(=O)N
+
** C([O-])(=O)C1(O)(CC(O)C(O)C(O)C1)
 
* inchi key:
 
* inchi key:
−
** InChIKey=NUCLJNSWZCHRKL-UHFFFAOYSA-M
+
** InChIKey=AAWZDTNXLSGCEK-WYWMIBKRSA-M
 
* common name:
 
* common name:
−
** allantoate
+
** L-quinate
 
* molecular weight:
 
* molecular weight:
−
** 175.124    
+
** 191.16    
 
* Synonym(s):
 
* Synonym(s):
−
** allantoic acid
+
** (-)-quinic acid
 +
** (-)-quinate
 +
** (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[ALLANTOICASE-RXN]]
+
* [[QUINATE-5-DEHYDROGENASE-RXN]]
 +
* [[RXN-7967]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[ALLANTOINASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 99-16-1
+
* CAS : 77-95-2
−
* BIGG : 35164
+
−
* DRUGBANK : DB04380
+
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5287444 5287444]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1560034 1560034]
−
* HMDB : HMDB01209
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00499 C00499]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.4449824.html 4449824]
+
** [http://www.chemspider.com/Chemical-Structure.1272058.html 1272058]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17536 17536]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=29751 29751]
−
* METABOLIGHTS : MTBLC17536
+
* LIGAND-CPD:
−
{{#set: smiles=C(C(=O)[O-])(NC(=O)N)NC(=O)N}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C00296 C00296]
−
{{#set: inchi key=InChIKey=NUCLJNSWZCHRKL-UHFFFAOYSA-M}}
+
{{#set: smiles=C([O-])(=O)C1(O)(CC(O)C(O)C(O)C1)}}
−
{{#set: common name=allantoate}}
+
{{#set: inchi key=InChIKey=AAWZDTNXLSGCEK-WYWMIBKRSA-M}}
−
{{#set: molecular weight=175.124   }}
+
{{#set: common name=L-quinate}}
−
{{#set: common name=allantoic acid}}
+
{{#set: molecular weight=191.16   }}
−
{{#set: consumed by=ALLANTOICASE-RXN}}
+
{{#set: common name=(-)-quinic acid|(-)-quinate|(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylate}}
−
{{#set: produced by=ALLANTOINASE-RXN}}
+
{{#set: consumed by=QUINATE-5-DEHYDROGENASE-RXN|RXN-7967}}

Revision as of 13:51, 21 March 2018

Metabolite QUINATE

  • smiles:
    • C([O-])(=O)C1(O)(CC(O)C(O)C(O)C1)
  • inchi key:
    • InChIKey=AAWZDTNXLSGCEK-WYWMIBKRSA-M
  • common name:
    • L-quinate
  • molecular weight:
    • 191.16
  • Synonym(s):
    • (-)-quinic acid
    • (-)-quinate
    • (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C([O-])(=O)C1(O)(CC(O)C(O)C(O)C1)" cannot be used as a page name in this wiki.



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