Difference between revisions of "RXN1G-1436"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=TETRADECANOYL-COA TETRADECANOYL-COA] == * smiles: ** CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-479 CPD-479] == * smiles: ** CSCCC(C([O-])=O)=O * inchi key: ** InChIKey=SXFSQZDSUWACKX-UHF...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=TETRADECANOYL-COA TETRADECANOYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-479 CPD-479] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCC(=O)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-]
+
** CSCCC(C([O-])=O)=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=DUAFKXOFBZQTQE-QSGBVPJFSA-J
+
** InChIKey=SXFSQZDSUWACKX-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** myristoyl-CoA
+
** 2-oxo-4-methylthiobutanoate
 
* molecular weight:
 
* molecular weight:
−
** 973.861    
+
** 147.168    
 
* Synonym(s):
 
* Synonym(s):
−
** Tetradecanoyl-CoA (n-C14:0CoA)
+
** 2-keto-methyl-thio-butyrate
−
** tetradecanoyl-CoA
+
** 2-keto-4-methylthiobutyrate
 +
** 4-methylthio-2-oxobutanoate
 +
** α-keto-4-methylthiobutyrate
 +
** 4-methylthio-2-ketobutyrate
 +
** 4-methylthio-2-ketobutanoate
 +
** 4-methylthio-2-oxobutyrate
 +
** 2-ketomethiobutyrate
 +
** KMTB
 +
** α-ketomethiobutyrate
 +
** 2-keto-4-methylthiobutyric acid
 +
** α-ketomethiobutyric acid
 +
** α-keto-γ-methylthiobutyrate
 +
** α-keto-γ-methylthiobutyric acid
 +
** 2-oxo-4-methylthiobutanoic acid
 +
** 2-oxomethionine
 +
** 2-keto-4-methylthiobutanoate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-17021]]
+
* [[RXN-12539]]
−
* [[RXN-17023]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[R15-RXN-MET/P-HYDROXY-PHENYLPYRUVATE//CPD-479/TYR.42.]]
 +
* [[R147-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[2.3.1.97-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* BIGG : 40154
+
* BIGG : 228408
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244582 25244582]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4584184 4584184]
−
* HMDB : HMDB01521
+
* HMDB : HMDB01553
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C02593 C02593]
+
** [http://www.genome.jp/dbget-bin/www_bget?C01180 C01180]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.3776616.html 3776616]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57385 57385]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16723 16723]
−
* METABOLIGHTS : MTBLC57385
+
* METABOLIGHTS : MTBLC16723
−
{{#set: smiles=CCCCCCCCCCCCCC(=O)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-]}}
+
{{#set: smiles=CSCCC(C([O-])=O)=O}}
−
{{#set: inchi key=InChIKey=DUAFKXOFBZQTQE-QSGBVPJFSA-J}}
+
{{#set: inchi key=InChIKey=SXFSQZDSUWACKX-UHFFFAOYSA-M}}
−
{{#set: common name=myristoyl-CoA}}
+
{{#set: common name=2-oxo-4-methylthiobutanoate}}
−
{{#set: molecular weight=973.861   }}
+
{{#set: molecular weight=147.168   }}
−
{{#set: common name=Tetradecanoyl-CoA (n-C14:0CoA)|tetradecanoyl-CoA}}
+
{{#set: common name=2-keto-methyl-thio-butyrate|2-keto-4-methylthiobutyrate|4-methylthio-2-oxobutanoate|α-keto-4-methylthiobutyrate|4-methylthio-2-ketobutyrate|4-methylthio-2-ketobutanoate|4-methylthio-2-oxobutyrate|2-ketomethiobutyrate|KMTB|α-ketomethiobutyrate|2-keto-4-methylthiobutyric acid|α-ketomethiobutyric acid|α-keto-γ-methylthiobutyrate|α-keto-γ-methylthiobutyric acid|2-oxo-4-methylthiobutanoic acid|2-oxomethionine|2-keto-4-methylthiobutanoate}}
−
{{#set: consumed by=RXN-17021|RXN-17023}}
+
{{#set: consumed by=RXN-12539}}
−
{{#set: reversible reaction associated=2.3.1.97-RXN}}
+
{{#set: produced by=R15-RXN-MET/P-HYDROXY-PHENYLPYRUVATE//CPD-479/TYR.42.|R147-RXN}}

Revision as of 13:40, 21 March 2018

Metabolite CPD-479

  • smiles:
    • CSCCC(C([O-])=O)=O
  • inchi key:
    • InChIKey=SXFSQZDSUWACKX-UHFFFAOYSA-M
  • common name:
    • 2-oxo-4-methylthiobutanoate
  • molecular weight:
    • 147.168
  • Synonym(s):
    • 2-keto-methyl-thio-butyrate
    • 2-keto-4-methylthiobutyrate
    • 4-methylthio-2-oxobutanoate
    • α-keto-4-methylthiobutyrate
    • 4-methylthio-2-ketobutyrate
    • 4-methylthio-2-ketobutanoate
    • 4-methylthio-2-oxobutyrate
    • 2-ketomethiobutyrate
    • KMTB
    • α-ketomethiobutyrate
    • 2-keto-4-methylthiobutyric acid
    • α-ketomethiobutyric acid
    • α-keto-γ-methylthiobutyrate
    • α-keto-γ-methylthiobutyric acid
    • 2-oxo-4-methylthiobutanoic acid
    • 2-oxomethionine
    • 2-keto-4-methylthiobutanoate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • BIGG : 228408
  • PUBCHEM:
  • HMDB : HMDB01553
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC16723
"CSCCC(C([O-])=O)=O" cannot be used as a page name in this wiki.




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