Difference between revisions of "CPD-15688"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9868 RXN-9868] == * direction: ** LEFT-TO-RIGHT * common name: ** carboxymethylenebutenolidase...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15688 CPD-15688] == * smiles: ** CCCCCCC=CC=CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
[[Category:Reaction]]
+
[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9868 RXN-9868] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15688 CPD-15688] ==
* direction:
+
* smiles:
** LEFT-TO-RIGHT
+
** CCCCCCC=CC=CCC(=O)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-]
 
* common name:
 
* common name:
** carboxymethylenebutenolidase
+
** 3-cis, 5-trans-dodecadienoyl-CoA
* ec number:
+
* inchi key:
** [http://enzyme.expasy.org/EC/3.1.1.45 EC-3.1.1.45]
+
** InChIKey=ARQUZFJQPYWSSL-NBLUIMTHSA-J
 +
* molecular weight:
 +
** 941.776   
 
* Synonym(s):
 
* Synonym(s):
  
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
* With identifiers:
+
== Reaction(s) known to produce the compound ==
** 1 [[CPD-10608]][c] '''+''' 1 [[WATER]][c] '''=>''' 1 [[CPD-294]][c] '''+''' 1 [[PROTON]][c]
+
* [[RXN-14799]]
* With common name(s):
+
== Reaction(s) of unknown directionality ==
** 1 trans-dienelactone[c] '''+''' 1 H2O[c] '''=>''' 1 2-maleylacetate[c] '''+''' 1 H+[c]
+
 
+
== Genes associated with this reaction  ==
+
Genes have been associated with this reaction based on different elements listed below.
+
* [[Tiso_gene_12835]]
+
** IN-SILICO_ANNOTATION
+
***AUTOMATED-NAME-MATCH
+
== Pathways  ==
+
* [[PWY-6089]], 3-chlorocatechol degradation I (ortho): [http://metacyc.org/META/NEW-IMAGE?object=PWY-6089 PWY-6089]
+
** '''1''' reactions found over '''5''' reactions in the full pathway
+
== Reconstruction information  ==
+
* Category: [[annotation]]
+
** Source: [[annotation-in-silico_annotation]]
+
*** Tool: [[pathwaytools]]
+
 
== External links  ==
 
== External links  ==
* LIGAND-RXN:
+
* PUBCHEM:
** [http://www.genome.jp/dbget-bin/www_bget?R06838 R06838]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657300 90657300]
{{#set: direction=LEFT-TO-RIGHT}}
+
{{#set: smiles=CCCCCCC=CC=CCC(=O)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-]}}
{{#set: common name=carboxymethylenebutenolidase}}
+
{{#set: common name=3-cis, 5-trans-dodecadienoyl-CoA}}
{{#set: ec number=EC-3.1.1.45}}
+
{{#set: inchi key=InChIKey=ARQUZFJQPYWSSL-NBLUIMTHSA-J}}
{{#set: gene associated=Tiso_gene_12835}}
+
{{#set: molecular weight=941.776    }}
{{#set: in pathway=PWY-6089}}
+
{{#set: produced by=RXN-14799}}
{{#set: reconstruction category=annotation}}
+
{{#set: reconstruction source=annotation-in-silico_annotation}}
+
{{#set: reconstruction tool=pathwaytools}}
+

Latest revision as of 20:59, 21 March 2018

Metabolite CPD-15688

  • smiles:
    • CCCCCCC=CC=CCC(=O)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-]
  • common name:
    • 3-cis, 5-trans-dodecadienoyl-CoA
  • inchi key:
    • InChIKey=ARQUZFJQPYWSSL-NBLUIMTHSA-J
  • molecular weight:
    • 941.776
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCC=CC=CCC(=O)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-" cannot be used as a page name in this wiki.