Difference between revisions of "CH3-MALONATE-S-ALD"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=THYROXINE-DEIODINASE-RXN THYROXINE-DEIODINASE-RXN] == * direction: ** LEFT-TO-RIGHT * common name:...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CH3-MALONATE-S-ALD CH3-MALONATE-S-ALD] == * smiles: ** CC([CH]=O)C(=O)[O-] * common name: ** (S...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
−
[[Category:Reaction]]
+
[[Category:Metabolite]]
−
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=THYROXINE-DEIODINASE-RXN THYROXINE-DEIODINASE-RXN] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CH3-MALONATE-S-ALD CH3-MALONATE-S-ALD] ==
−
* direction:
+
* smiles:
−
** LEFT-TO-RIGHT
+
** CC([CH]=O)C(=O)[O-]
 
* common name:
 
* common name:
−
** type_i_iodothyronine_deiodinase
+
** (S)-methylmalonate-semialdehyde
−
* ec number:
+
* inchi key:
−
** [http://enzyme.expasy.org/EC/1.21.99.4 EC-1.21.99.4]
+
** InChIKey=VOKUMXABRRXHAR-VKHMYHEASA-M
 +
* molecular weight:
 +
** 101.082   
 
* Synonym(s):
 
* Synonym(s):
 +
** (S)-2-methyl-3-oxopropanoate
 +
** (S)-ch3-malonate-semialdehyde
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
* [[RXN-11213]]
−
** 1 [[Donor-H2]][c] '''+''' 1 [[L-THYROXINE]][c] '''=>''' 1 [[Acceptor]][c] '''+''' 1 [[PROTON]][c] '''+''' 1 [[LIOTHYRONINE]][c] '''+''' 1 [[CPD-387]][c]
+
== Reaction(s) known to produce the compound ==
−
* With common name(s):
+
* [[3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN]]
−
** 1 a reduced electron acceptor[c] '''+''' 1 L-thyroxine[c] '''=>''' 1 an oxidized electron acceptor[c] '''+''' 1 H+[c] '''+''' 1 3,5,3'-triiodo-L-thyronine[c] '''+''' 1 iodide[c]
+
== Reaction(s) of unknown directionality ==
−
 
+
* [[2.6.1.22-RXN]]
−
== Genes associated with this reaction  ==
+
* [[RXN-14056]]
−
Genes have been associated with this reaction based on different elements listed below.
+
−
* [[Tiso_gene_20481]]
+
−
** IN-SILICO_ANNOTATION
+
−
***EC-NUMBER
+
−
== Pathways  ==
+
−
* [[PWY-6261]], thyroid hormone metabolism II (via conjugation and/or degradation): [http://metacyc.org/META/NEW-IMAGE?object=PWY-6261 PWY-6261]
+
−
** '''11''' reactions found over '''15''' reactions in the full pathway
+
−
* [[PWY-6260]], thyroid hormone metabolism I (via deiodination): [http://metacyc.org/META/NEW-IMAGE?object=PWY-6260 PWY-6260]
+
−
** '''3''' reactions found over '''12''' reactions in the full pathway
+
−
== Reconstruction information  ==
+
−
* [[annotation]]:
+
−
** [[pathwaytools]]:
+
−
*** [[in-silico_annotation]]
+
 
== External links  ==
 
== External links  ==
−
* RHEA:
+
* CAS : 6236-08-4
−
** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=19745 19745]
+
* PUBCHEM:
−
* LIGAND-RXN:
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173457 46173457]
−
** [http://www.genome.jp/dbget-bin/www_bget?R03734 R03734]
+
* HMDB : HMDB02217
−
* UNIPROT:
+
* LIGAND-CPD:
−
** [http://www.uniprot.org/uniprot/P21195 P21195]
+
** [http://www.genome.jp/dbget-bin/www_bget?C06002 C06002]
−
** [http://www.uniprot.org/uniprot/P49897 P49897]
+
* CHEBI:
−
** [http://www.uniprot.org/uniprot/P49898 P49898]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62413 62413]
−
** [http://www.uniprot.org/uniprot/P05307 P05307]
+
* METABOLIGHTS : MTBLC62413
−
** [http://www.uniprot.org/uniprot/P09102 P09102]
+
{{#set: smiles=CC([CH]=O)C(=O)[O-]}}
−
** [http://www.uniprot.org/uniprot/P07237 P07237]
+
{{#set: common name=(S)-methylmalonate-semialdehyde}}
−
** [http://www.uniprot.org/uniprot/Q922C8 Q922C8]
+
{{#set: inchi key=InChIKey=VOKUMXABRRXHAR-VKHMYHEASA-M}}
−
** [http://www.uniprot.org/uniprot/P04785 P04785]
+
{{#set: molecular weight=101.082    }}
−
** [http://www.uniprot.org/uniprot/P24389 P24389]
+
{{#set: common name=(S)-2-methyl-3-oxopropanoate|(S)-ch3-malonate-semialdehyde}}
−
{{#set: direction=LEFT-TO-RIGHT}}
+
{{#set: consumed by=RXN-11213}}
−
{{#set: common name=type_i_iodothyronine_deiodinase}}
+
{{#set: produced by=3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN}}
−
{{#set: ec number=EC-1.21.99.4}}
+
{{#set: reversible reaction associated=2.6.1.22-RXN|RXN-14056}}
−
{{#set: gene associated=Tiso_gene_20481}}
+
−
{{#set: in pathway=PWY-6261|PWY-6260}}
+
−
{{#set: reconstruction category=annotation}}
+
−
{{#set: reconstruction tool=pathwaytools}}
+
−
{{#set: reconstruction source=in-silico_annotation}}
+

Latest revision as of 21:25, 21 March 2018

Metabolite CH3-MALONATE-S-ALD

  • smiles:
    • CC([CH]=O)C(=O)[O-]
  • common name:
    • (S)-methylmalonate-semialdehyde
  • inchi key:
    • InChIKey=VOKUMXABRRXHAR-VKHMYHEASA-M
  • molecular weight:
    • 101.082
  • Synonym(s):
    • (S)-2-methyl-3-oxopropanoate
    • (S)-ch3-malonate-semialdehyde

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 6236-08-4
  • PUBCHEM:
  • HMDB : HMDB02217
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC62413
"CC([CH]=O)C(=O)[O-" cannot be used as a page name in this wiki.




Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CH3-MALONATE-S-ALD&oldid=48634"