Difference between revisions of "QUINATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11444 CPD-11444] == * smiles: ** C(=O)([O-])CCC5(=C4(NC(CC1(NC(=C(CC([O-])=O)C(CCC(=O)[O-])...")
(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...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11444 CPD-11444] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=QUINATE QUINATE] ==
 
* smiles:
 
* smiles:
−
** C(=O)([O-])CCC5(=C4(NC(CC1(NC(=C(CC([O-])=O)C(CCC(=O)[O-])=1)CC2(NC(=C(C(CCC(=O)[O-])=2)CC(=O)[O-])CC3(=C(CCC([O-])=O)C(CC(=O)[O-])=C(N3)C4))))=C(CC(=O)[O-])5))
+
** C([O-])(=O)C1(O)(CC(O)C(O)C(O)C1)
 
* inchi key:
 
* inchi key:
−
** InChIKey=QTTNOSKSLATGQB-UHFFFAOYSA-F
+
** InChIKey=AAWZDTNXLSGCEK-WYWMIBKRSA-M
 
* common name:
 
* common name:
−
** uroporphyrinogen-I
+
** L-quinate
 
* molecular weight:
 
* molecular weight:
−
** 828.742    
+
** 191.16    
 
* Synonym(s):
 
* Synonym(s):
−
** uroporphyrinogen I
+
** (-)-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 ==
 +
* [[QUINATE-5-DEHYDROGENASE-RXN]]
 +
* [[RXN-7967]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-14396]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-10642]]
 
 
== External links  ==
 
== External links  ==
 +
* CAS : 77-95-2
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25201940 25201940]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1560034 1560034]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.389644.html 389644]
+
** [http://www.chemspider.com/Chemical-Structure.1272058.html 1272058]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62626 62626]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=29751 29751]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C05766 C05766]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00296 C00296]
−
* HMDB : HMDB02211
+
{{#set: smiles=C([O-])(=O)C1(O)(CC(O)C(O)C(O)C1)}}
−
{{#set: smiles=C(=O)([O-])CCC5(=C4(NC(CC1(NC(=C(CC([O-])=O)C(CCC(=O)[O-])=1)CC2(NC(=C(C(CCC(=O)[O-])=2)CC(=O)[O-])CC3(=C(CCC([O-])=O)C(CC(=O)[O-])=C(N3)C4))))=C(CC(=O)[O-])5))}}
+
{{#set: inchi key=InChIKey=AAWZDTNXLSGCEK-WYWMIBKRSA-M}}
−
{{#set: inchi key=InChIKey=QTTNOSKSLATGQB-UHFFFAOYSA-F}}
+
{{#set: common name=L-quinate}}
−
{{#set: common name=uroporphyrinogen-I}}
+
{{#set: molecular weight=191.16   }}
−
{{#set: molecular weight=828.742   }}
+
{{#set: common name=(-)-quinic acid|(-)-quinate|(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylate}}
−
{{#set: common name=uroporphyrinogen I}}
+
{{#set: consumed by=QUINATE-5-DEHYDROGENASE-RXN|RXN-7967}}
−
{{#set: produced by=RXN-14396}}
+
−
{{#set: reversible reaction associated=RXN-10642}}
+

Latest revision as of 20:51, 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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