Difference between revisions of "Biomass-Compositions"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-11521 RXN-11521] == * direction: ** LEFT-TO-RIGHT * Synonym(s): == Reaction Formula == * With...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-226 CPD-226] == * smiles: ** C=CCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-...")
Line 1: Line 1:
[[Category:Reaction]]
+
[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-11521 RXN-11521] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-226 CPD-226] ==
* direction:
+
* smiles:
** LEFT-TO-RIGHT
+
** C=CCC(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
 +
* common name:
 +
** vinylacetyl-CoA
 +
* inchi key:
 +
** InChIKey=UATIGEHITDTAGF-CITAKDKDSA-J
 +
* molecular weight:
 +
** 831.577   
 
* Synonym(s):
 
* Synonym(s):
 +
** 3-butenoyl-CoA
 +
** but-3-enoyl-CoA
  
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
* With identifiers:
+
== Reaction(s) known to produce the compound ==
** 1 [[WATER]][c] '''+''' 1 [[OXYGEN-MOLECULE]][c] '''+''' 1 [[7-METHYLXANTHINE]][c] '''=>''' 1 [[HYDROGEN-PEROXIDE]][c] '''+''' 1 [[CPD-12481]][c]
+
== Reaction(s) of unknown directionality ==
* With common name(s):
+
* [[VINYLACETYL-COA-DELTA-ISOMERASE-RXN]]
** 1 H2O[c] '''+''' 1 oxygen[c] '''+''' 1 7-methylxanthine[c] '''=>''' 1 hydrogen peroxide[c] '''+''' 1 7-methylurate[c]
+
 
+
== Genes associated with this reaction  ==
+
Genes have been associated with this reaction based on different elements listed below.
+
* [[Tiso_gene_11775]]
+
** [[pantograph]]-[[athaliana]]
+
== Pathways  ==
+
* [[PWY-6632]], caffeine degradation IV (bacteria, via demethylation and oxidation): [http://metacyc.org/META/NEW-IMAGE?object=PWY-6632 PWY-6632]
+
** '''4''' reactions found over '''5''' reactions in the full pathway
+
== Reconstruction information  ==
+
* Category: [[orthology]]
+
** Source: [[orthology-athaliana]]
+
*** Tool: [[pantograph]]
+
 
== External links  ==
 
== External links  ==
* LIGAND-RXN:
+
* PUBCHEM:
** [http://www.genome.jp/dbget-bin/www_bget?R07979 R07979]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266616 45266616]
{{#set: direction=LEFT-TO-RIGHT}}
+
* CHEBI:
{{#set: gene associated=Tiso_gene_11775}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57396 57396]
{{#set: in pathway=PWY-6632}}
+
* LIGAND-CPD:
{{#set: reconstruction category=orthology}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C02331 C02331]
{{#set: reconstruction source=orthology-athaliana}}
+
{{#set: smiles=C=CCC(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}}
{{#set: reconstruction tool=pantograph}}
+
{{#set: common name=vinylacetyl-CoA}}
 +
{{#set: inchi key=InChIKey=UATIGEHITDTAGF-CITAKDKDSA-J}}
 +
{{#set: molecular weight=831.577    }}
 +
{{#set: common name=3-butenoyl-CoA|but-3-enoyl-CoA}}
 +
{{#set: reversible reaction associated=VINYLACETYL-COA-DELTA-ISOMERASE-RXN}}

Revision as of 15:49, 21 March 2018

Metabolite CPD-226

  • smiles:
    • C=CCC(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
  • common name:
    • vinylacetyl-CoA
  • inchi key:
    • InChIKey=UATIGEHITDTAGF-CITAKDKDSA-J
  • molecular weight:
    • 831.577
  • Synonym(s):
    • 3-butenoyl-CoA
    • but-3-enoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C=CCC(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" cannot be used as a page name in this wiki.