Difference between revisions of "2-DEHYDROPANTOATE"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-16016 RXN-16016] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy.org/EC/...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-DEHYDROPANTOATE 2-DEHYDROPANTOATE] == * smiles: ** CC(C(=O)C([O-])=O)(CO)C * inchi key: ** In...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
−
[[Category:Reaction]]
+
[[Category:Metabolite]]
−
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-16016 RXN-16016] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-DEHYDROPANTOATE 2-DEHYDROPANTOATE] ==
−
* direction:
+
* smiles:
−
** LEFT-TO-RIGHT
+
** CC(C(=O)C([O-])=O)(CO)C
−
* ec number:
+
* inchi key:
−
** [http://enzyme.expasy.org/EC/2.3.1 EC-2.3.1]
+
** InChIKey=PKVVTUWHANFMQC-UHFFFAOYSA-M
 +
* common name:
 +
** 2-dehydropantoate
 +
* molecular weight:
 +
** 145.135   
 
* Synonym(s):
 
* Synonym(s):
 +
** ketopantoate
 +
** 2-ketopantoate
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
* [[2-DEHYDROPANTOATE-REDUCT-RXN]]
−
** 22 [[PROTON]][c] '''+''' 1 [[ACETYL-COA]][c] '''+''' 14 [[NADPH]][c] '''+''' 9 [[MALONYL-COA]][c] '''=>''' 8 [[WATER]][c] '''+''' 14 [[NADP]][c] '''+''' 1 [[ARACHIDONIC_ACID]][c] '''+''' 10 [[CO-A]][c] '''+''' 9 [[CARBON-DIOXIDE]][c]
+
== Reaction(s) known to produce the compound ==
−
* With common name(s):
+
* [[RXN-15635]]
−
** 22 H+[c] '''+''' 1 acetyl-CoA[c] '''+''' 14 NADPH[c] '''+''' 9 malonyl-CoA[c] '''=>''' 8 H2O[c] '''+''' 14 NADP+[c] '''+''' 1 arachidonate[c] '''+''' 10 coenzyme A[c] '''+''' 9 CO2[c]
+
== Reaction(s) of unknown directionality ==
−
 
+
* [[3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN]]
−
== Genes associated with this reaction  ==
+
−
== Pathways  ==
+
−
* [[PWY-7583]], arachidonate biosynthesis II (bacteria): [http://metacyc.org/META/NEW-IMAGE?object=PWY-7583 PWY-7583]
+
−
** '''1''' reactions found over '''1''' reactions in the full pathway
+
−
== Reconstruction information  ==
+
−
* [[gap-filling]]:
+
−
** [[meneco]]:
+
−
*** [[added for gapfilling]]
+
 
== External links  ==
 
== External links  ==
−
{{#set: direction=LEFT-TO-RIGHT}}
+
* DRUGBANK : DB03795
−
{{#set: ec number=EC-2.3.1}}
+
* PUBCHEM:
−
{{#set: in pathway=PWY-7583}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=16755619 16755619]
−
{{#set: reconstruction category=gap-filling}}
+
* LIGAND-CPD:
−
{{#set: reconstruction tool=meneco}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C00966 C00966]
−
{{#set: reconstruction source=added for gapfilling}}
+
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.14649571.html 14649571]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=11561 11561]
 +
* BIGG : 36502
 +
{{#set: smiles=CC(C(=O)C([O-])=O)(CO)C}}
 +
{{#set: inchi key=InChIKey=PKVVTUWHANFMQC-UHFFFAOYSA-M}}
 +
{{#set: common name=2-dehydropantoate}}
 +
{{#set: molecular weight=145.135    }}
 +
{{#set: common name=ketopantoate|2-ketopantoate}}
 +
{{#set: consumed by=2-DEHYDROPANTOATE-REDUCT-RXN}}
 +
{{#set: produced by=RXN-15635}}
 +
{{#set: reversible reaction associated=3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN}}

Latest revision as of 20:18, 21 March 2018

Metabolite 2-DEHYDROPANTOATE

  • smiles:
    • CC(C(=O)C([O-])=O)(CO)C
  • inchi key:
    • InChIKey=PKVVTUWHANFMQC-UHFFFAOYSA-M
  • common name:
    • 2-dehydropantoate
  • molecular weight:
    • 145.135
  • Synonym(s):
    • ketopantoate
    • 2-ketopantoate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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




Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=2-DEHYDROPANTOATE&oldid=25955"