Difference between revisions of "4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14719 CPD-14719] == * smiles: ** CCCCCCCCCCCCCCCC[CH]=O * inchi key: ** InChIKey=PIYDVAYKYB...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE 4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE] == * smiles: ** C1(=CC(=...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14719 CPD-14719] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE 4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCCCC[CH]=O
+
** C1(=CC(=O)OC(=CC(=O)[O-])1)
−
* inchi key:
+
−
** InChIKey=PIYDVAYKYBWPPY-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
−
** heptadecanal
+
** cis-dienelactone
 +
* inchi key:
 +
** InChIKey=AYFXPGXAZMFWNH-ARJAWSKDSA-M
 
* molecular weight:
 
* molecular weight:
−
** 254.455    
+
** 139.087    
 
* Synonym(s):
 
* Synonym(s):
 +
** cis-4-carboxymethylenebut-2-en-4-olide
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN66-476-CPD-14719/NAD/WATER//CPD-7830/NADH/PROTON.42.]]
+
* [[CARBOXYMETHYLENEBUTENOLIDASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN66-475-CPD-14717//CPD-14719/FORMYL-COA.32.]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 3374-46-7
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71552 71552]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9543216 9543216]
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* HMDB : HMDB31039
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* CHEMSPIDER:
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{{#set: smiles=CCCCCCCCCCCCCCCC[CH]=O}}
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** [http://www.chemspider.com/Chemical-Structure.7822221.html 7822221]
−
{{#set: inchi key=InChIKey=PIYDVAYKYBWPPY-UHFFFAOYSA-N}}
+
* LIGAND-CPD:
−
{{#set: common name=heptadecanal}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C04431 C04431]
−
{{#set: molecular weight=254.455   }}
+
{{#set: smiles=C1(=CC(=O)OC(=CC(=O)[O-])1)}}
−
{{#set: consumed by=RXN66-476-CPD-14719/NAD/WATER//CPD-7830/NADH/PROTON.42.}}
+
{{#set: common name=cis-dienelactone}}
−
{{#set: produced by=RXN66-475-CPD-14717//CPD-14719/FORMYL-COA.32.}}
+
{{#set: inchi key=InChIKey=AYFXPGXAZMFWNH-ARJAWSKDSA-M}}
 +
{{#set: molecular weight=139.087   }}
 +
{{#set: common name=cis-4-carboxymethylenebut-2-en-4-olide}}
 +
{{#set: consumed by=CARBOXYMETHYLENEBUTENOLIDASE-RXN}}

Latest revision as of 19:29, 21 March 2018

Metabolite 4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE

  • smiles:
    • C1(=CC(=O)OC(=CC(=O)[O-])1)
  • common name:
    • cis-dienelactone
  • inchi key:
    • InChIKey=AYFXPGXAZMFWNH-ARJAWSKDSA-M
  • molecular weight:
    • 139.087
  • Synonym(s):
    • cis-4-carboxymethylenebut-2-en-4-olide

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C1(=CC(=O)OC(=CC(=O)[O-])1)" cannot be used as a page name in this wiki.



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