Difference between revisions of "S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-548 CPD-548] == * smiles: ** C(C(NC(CCC([N+])C([O-])=O)=O)C(=O)NCC([O-])=O)SC=O * inchi key...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE] == * smiles: **...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-548 CPD-548] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE] ==
 
* smiles:
 
* smiles:
−
** C(C(NC(CCC([N+])C([O-])=O)=O)C(=O)NCC([O-])=O)SC=O
+
** C[S+](CCC(C([O-])=O)=O)CC1(OC(C(C1O)O)N3(C2(=NC=NC(=C2N=C3)N)))
 
* inchi key:
 
* inchi key:
−
** InChIKey=FHXAGOICBFGEBF-BQBZGAKWSA-M
+
** InChIKey=UOKVQQMBGVMXPU-CJPDYEHRSA-N
 
* common name:
 
* common name:
−
** S-formylglutathione
+
** S-adenosyl-4-methylthio-2-oxobutanoate
 
* molecular weight:
 
* molecular weight:
−
** 334.323    
+
** 397.405    
 
* Synonym(s):
 
* Synonym(s):
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[S-FORMYLGLUTATHIONE-HYDROLASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-2962]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN0-276]]
+
* [[DAPASYN-RXN]]
 
== External links  ==
 
== External links  ==
−
* BIGG : 1485290
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25246250 25246250]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459852 5459852]
−
* HMDB : HMDB01550
+
* CHEMSPIDER:
−
* LIGAND-CPD:
+
** [http://www.chemspider.com/Chemical-Structure.4573603.html 4573603]
−
** [http://www.genome.jp/dbget-bin/www_bget?C01031 C01031]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16225 16225]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16490 16490]
−
* METABOLIGHTS : MTBLC57688
+
* BIGG : 43797
−
{{#set: smiles=C(C(NC(CCC([N+])C([O-])=O)=O)C(=O)NCC([O-])=O)SC=O}}
+
* LIGAND-CPD:
−
{{#set: inchi key=InChIKey=FHXAGOICBFGEBF-BQBZGAKWSA-M}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C04425 C04425]
−
{{#set: common name=S-formylglutathione}}
+
{{#set: smiles=C[S+](CCC(C([O-])=O)=O)CC1(OC(C(C1O)O)N3(C2(=NC=NC(=C2N=C3)N)))}}
−
{{#set: molecular weight=334.323   }}
+
{{#set: inchi key=InChIKey=UOKVQQMBGVMXPU-CJPDYEHRSA-N}}
−
{{#set: consumed by=S-FORMYLGLUTATHIONE-HYDROLASE-RXN}}
+
{{#set: common name=S-adenosyl-4-methylthio-2-oxobutanoate}}
−
{{#set: produced by=RXN-2962}}
+
{{#set: molecular weight=397.405   }}
−
{{#set: reversible reaction associated=RXN0-276}}
+
{{#set: reversible reaction associated=DAPASYN-RXN}}

Latest revision as of 19:09, 21 March 2018

Metabolite S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE

  • smiles:
    • C[S+](CCC(C([O-])=O)=O)CC1(OC(C(C1O)O)N3(C2(=NC=NC(=C2N=C3)N)))
  • inchi key:
    • InChIKey=UOKVQQMBGVMXPU-CJPDYEHRSA-N
  • common name:
    • S-adenosyl-4-methylthio-2-oxobutanoate
  • molecular weight:
    • 397.405
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C[S+](CCC(C([O-])=O)=O)CC1(OC(C(C1O)O)N3(C2(=NC=NC(=C2N=C3)N)))" cannot be used as a page name in this wiki.



Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE&oldid=24941"