Difference between revisions of "PWY-5642"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18352 CPD-18352] == * smiles: ** CCCCCCC=CCCCCCCCCCC(OC(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O...")
 
(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: **...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18352 CPD-18352] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE] ==
 
* smiles:
 
* smiles:
** CCCCCCC=CCCCCCCCCCC(OC(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)[O-])=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=YDFKTEAAIYLUQP-WNHJEKBPSA-L
+
** InChIKey=UOKVQQMBGVMXPU-CJPDYEHRSA-N
 
* common name:
 
* common name:
** 1-palmitoyl-2-cis-vaccenoyl phosphatidate
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** S-adenosyl-4-methylthio-2-oxobutanoate
 
* molecular weight:
 
* molecular weight:
** 672.921    
+
** 397.405    
 
* Synonym(s):
 
* Synonym(s):
** 16:0-18:1-PA
 
** 1-palmitoyl-2-(11Z-octadecenoyl)-sn-glycerol-3-phosphate
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-17010]]
 
* [[RXN-17014]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[DAPASYN-RXN]]
 
== External links  ==
 
== External links  ==
{{#set: smiles=CCCCCCC=CCCCCCCCCCC(OC(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)[O-])=O}}
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* PUBCHEM:
{{#set: inchi key=InChIKey=YDFKTEAAIYLUQP-WNHJEKBPSA-L}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459852 5459852]
{{#set: common name=1-palmitoyl-2-cis-vaccenoyl phosphatidate}}
+
* CHEMSPIDER:
{{#set: molecular weight=672.921   }}
+
** [http://www.chemspider.com/Chemical-Structure.4573603.html 4573603]
{{#set: common name=16:0-18:1-PA|1-palmitoyl-2-(11Z-octadecenoyl)-sn-glycerol-3-phosphate}}
+
* CHEBI:
{{#set: produced by=RXN-17010|RXN-17014}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16490 16490]
 +
* BIGG : 43797
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C04425 C04425]
 +
{{#set: smiles=C[S+](CCC(C([O-])=O)=O)CC1(OC(C(C1O)O)N3(C2(=NC=NC(=C2N=C3)N)))}}
 +
{{#set: inchi key=InChIKey=UOKVQQMBGVMXPU-CJPDYEHRSA-N}}
 +
{{#set: common name=S-adenosyl-4-methylthio-2-oxobutanoate}}
 +
{{#set: molecular weight=397.405   }}
 +
{{#set: reversible reaction associated=DAPASYN-RXN}}

Revision as of 21:40, 17 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.