Difference between revisions of "PRENAL"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-10708 RXN-10708] == * direction: ** LEFT-TO-RIGHT * common name: ** acyl-coenzyme_a_thioesteras...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PRENAL PRENAL] == * smiles: ** CC(=CC=O)C * common name: ** 3-methyl-2-butenal * inchi key: **...")
 
(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-10708 RXN-10708] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PRENAL PRENAL] ==
−
* direction:
+
* smiles:
−
** LEFT-TO-RIGHT
+
** CC(=CC=O)C
 
* common name:
 
* common name:
−
** acyl-coenzyme_a_thioesterase_mitochondrial-like
+
** 3-methyl-2-butenal
−
** thioesterase_superfamily_member_2
+
* inchi key:
−
** ORF
+
** InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N
−
* ec number:
+
* molecular weight:
−
** [http://enzyme.expasy.org/EC/3.1.2.20 EC-3.1.2.20]
+
** 84.118   
 
* Synonym(s):
 
* Synonym(s):
 +
** 3-methylbut-2-enal
 +
** 3,3-dimethyl-acrylaldehyde
 +
** prenal
 +
** 3-methylcrotonaldehyde
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
== Reaction(s) known to produce the compound ==
−
** 1 [[WATER]][c] '''+''' 1 [[CPD-11529]][c] '''=>''' 1 [[PROTON]][c] '''+''' 1 [[CO-A]][c] '''+''' 1 [[CPD-731]][c]
+
* [[1.8.3.5-RXN]]
−
* With common name(s):
+
* [[RXN-11989]]
−
** 1 H2O[c] '''+''' 1 jasmonoyl-CoA[c] '''=>''' 1 H+[c] '''+''' 1 coenzyme A[c] '''+''' 1 (+)-7-iso-jasmonate[c]
+
== Reaction(s) of unknown directionality ==
−
 
+
−
== Genes associated with this reaction  ==
+
−
Genes have been associated with this reaction based on different elements listed below.
+
−
* [[Tiso_gene_10984]]
+
−
** IN-SILICO_ANNOTATION
+
−
***EC-NUMBER
+
−
* [[Tiso_gene_801]]
+
−
** IN-SILICO_ANNOTATION
+
−
***EC-NUMBER
+
−
* [[Tiso_gene_7477]]
+
−
** IN-SILICO_ANNOTATION
+
−
***EC-NUMBER
+
−
* [[Tiso_gene_800]]
+
−
** IN-SILICO_ANNOTATION
+
−
***EC-NUMBER
+
−
== Pathways  ==
+
−
* [[PWY-735]], jasmonic acid biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-735 PWY-735]
+
−
** '''15''' reactions found over '''19''' reactions in the full pathway
+
−
== Reconstruction information  ==
+
−
* Category: [[annotation]]
+
−
** Source: [[annotation-in-silico_annotation]]
+
−
*** Tool: [[pathwaytools]]
+
 
== External links  ==
 
== External links  ==
−
{{#set: direction=LEFT-TO-RIGHT}}
+
* PUBCHEM:
−
{{#set: common name=acyl-coenzyme_a_thioesterase_mitochondrial-like}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=61020 61020]
−
{{#set: common name=thioesterase_superfamily_member_2}}
+
* HMDB : HMDB12157
−
{{#set: common name=ORF}}
+
* LIGAND-CPD:
−
{{#set: ec number=EC-3.1.2.20}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C07330 C07330]
−
{{#set: gene associated=Tiso_gene_10984|Tiso_gene_801|Tiso_gene_7477|Tiso_gene_800}}
+
* CHEMSPIDER:
−
{{#set: in pathway=PWY-735}}
+
** [http://www.chemspider.com/Chemical-Structure.10820046.html 10820046]
−
{{#set: reconstruction category=annotation}}
+
* CHEBI:
−
{{#set: reconstruction source=annotation-in-silico_annotation}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15825 15825]
−
{{#set: reconstruction tool=pathwaytools}}
+
* METABOLIGHTS : MTBLC15825
 +
{{#set: smiles=CC(=CC=O)C}}
 +
{{#set: common name=3-methyl-2-butenal}}
 +
{{#set: inchi key=InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N}}
 +
{{#set: molecular weight=84.118    }}
 +
{{#set: common name=3-methylbut-2-enal|3,3-dimethyl-acrylaldehyde|prenal|3-methylcrotonaldehyde}}
 +
{{#set: produced by=1.8.3.5-RXN|RXN-11989}}

Latest revision as of 21:17, 21 March 2018

Metabolite PRENAL

  • smiles:
    • CC(=CC=O)C
  • common name:
    • 3-methyl-2-butenal
  • inchi key:
    • InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N
  • molecular weight:
    • 84.118
  • Synonym(s):
    • 3-methylbut-2-enal
    • 3,3-dimethyl-acrylaldehyde
    • prenal
    • 3-methylcrotonaldehyde

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=PRENAL&oldid=47516"