Difference between revisions of "CPD-67"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DEHYDROQUINATE DEHYDROQUINATE] == * smiles: ** C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1) * inchi key:...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-67 CPD-67] == * smiles: ** C(OP([O-])(=O)[O-])C([O-])=O * inchi key: ** InChIKey=ASCFNMCAHF...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DEHYDROQUINATE DEHYDROQUINATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-67 CPD-67] ==
 
* smiles:
 
* smiles:
−
** C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1)
+
** C(OP([O-])(=O)[O-])C([O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=WVMWZWGZRAXUBK-SYTVJDICSA-M
+
** InChIKey=ASCFNMCAHFUBCO-UHFFFAOYSA-K
 
* common name:
 
* common name:
−
** 3-dehydroquinate
+
** 2-phosphoglycolate
 
* molecular weight:
 
* molecular weight:
−
** 189.144    
+
** 153.008    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-dehydroquinic acid
+
** 2-P-glycolate
−
** 5-dehydroquinic acid
+
** phosphoglycolate
−
** 5-dehydroquinate
+
** Phosphoglycolic acid
−
** 5-de-H-quinate
+
−
** rel-(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[GPH-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[QUINATE-5-DEHYDROGENASE-RXN]]
+
* [[RXN-961]]
−
* [[RXN-7967]]
+
−
* [[3-DEHYDROQUINATE-SYNTHASE-RXN]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[3-DEHYDROQUINATE-DEHYDRATASE-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 10534-44-8
+
* BIGG : 2pglyc
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460271 5460271]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=24916760 24916760]
−
* HMDB : HMDB12710
+
* HMDB : HMDB00816
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C00944 C00944]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00988 C00988]
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.4573866.html 4573866]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32364 32364]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58033 58033]
−
* BIGG : 36436
+
* METABOLIGHTS : MTBLC58033
−
{{#set: smiles=C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1)}}
+
{{#set: smiles=C(OP([O-])(=O)[O-])C([O-])=O}}
−
{{#set: inchi key=InChIKey=WVMWZWGZRAXUBK-SYTVJDICSA-M}}
+
{{#set: inchi key=InChIKey=ASCFNMCAHFUBCO-UHFFFAOYSA-K}}
−
{{#set: common name=3-dehydroquinate}}
+
{{#set: common name=2-phosphoglycolate}}
−
{{#set: molecular weight=189.144   }}
+
{{#set: molecular weight=153.008   }}
−
{{#set: common name=3-dehydroquinic acid|5-dehydroquinic acid|5-dehydroquinate|5-de-H-quinate|rel-(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylate}}
+
{{#set: common name=2-P-glycolate|phosphoglycolate|Phosphoglycolic acid}}
−
{{#set: produced by=QUINATE-5-DEHYDROGENASE-RXN|RXN-7967|3-DEHYDROQUINATE-SYNTHASE-RXN}}
+
{{#set: consumed by=GPH-RXN}}
−
{{#set: reversible reaction associated=3-DEHYDROQUINATE-DEHYDRATASE-RXN}}
+
{{#set: produced by=RXN-961}}

Latest revision as of 19:41, 21 March 2018

Metabolite CPD-67

  • smiles:
    • C(OP([O-])(=O)[O-])C([O-])=O
  • inchi key:
    • InChIKey=ASCFNMCAHFUBCO-UHFFFAOYSA-K
  • common name:
    • 2-phosphoglycolate
  • molecular weight:
    • 153.008
  • Synonym(s):
    • 2-P-glycolate
    • phosphoglycolate
    • Phosphoglycolic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • BIGG : 2pglyc
  • PUBCHEM:
  • HMDB : HMDB00816
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC58033
"C(OP([O-])(=O)[O-])C([O-])=O" cannot be used as a page name in this wiki.




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