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-11524 CPD-11524] == * smiles: ** CCC=CCC4(C(=O)CCC(CCCC(=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)C...")
 
(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-11524 CPD-11524] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE 4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE] ==
 
* smiles:
 
* smiles:
−
** CCC=CCC4(C(=O)CCC(CCCC(=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)4)
+
** C1(=CC(=O)OC(=CC(=O)[O-])1)
 +
* molecular weight:
 +
** 139.087   
 
* inchi key:
 
* inchi key:
−
** InChIKey=ADGIRVMSHGGGHU-JYNUABGASA-J
+
** InChIKey=AYFXPGXAZMFWNH-ARJAWSKDSA-M
 
* common name:
 
* common name:
−
** OPC6-3-ketoacyl-CoA
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** cis-dienelactone
−
* molecular weight:
+
−
** 1025.85   
+
 
* 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 ==
−
* [[RXN-10700]]
+
* [[CARBOXYMETHYLENEBUTENOLIDASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-10702]]
 
 
== 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=44237277 44237277]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9543216 9543216]
−
{{#set: smiles=CCC=CCC4(C(=O)CCC(CCCC(=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)4)}}
+
* LIGAND-CPD:
−
{{#set: inchi key=InChIKey=ADGIRVMSHGGGHU-JYNUABGASA-J}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C04431 C04431]
−
{{#set: common name=OPC6-3-ketoacyl-CoA}}
+
* CHEMSPIDER:
−
{{#set: molecular weight=1025.85    }}
+
** [http://www.chemspider.com/Chemical-Structure.7822221.html 7822221]
−
{{#set: consumed by=RXN-10700}}
+
{{#set: smiles=C1(=CC(=O)OC(=CC(=O)[O-])1)}}
−
{{#set: produced by=RXN-10702}}
+
{{#set: molecular weight=139.087    }}
 +
{{#set: inchi key=InChIKey=AYFXPGXAZMFWNH-ARJAWSKDSA-M}}
 +
{{#set: common name=cis-dienelactone}}
 +
{{#set: common name=cis-4-carboxymethylenebut-2-en-4-olide}}
 +
{{#set: consumed by=CARBOXYMETHYLENEBUTENOLIDASE-RXN}}

Latest revision as of 16:56, 9 January 2019

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

  • smiles:
    • C1(=CC(=O)OC(=CC(=O)[O-])1)
  • molecular weight:
    • 139.087
  • inchi key:
    • InChIKey=AYFXPGXAZMFWNH-ARJAWSKDSA-M
  • common name:
    • cis-dienelactone
  • 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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