Difference between revisions of "CPD-380"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=MALONATE-S-ALD MALONATE-S-ALD] == * smiles: ** [CH](=O)CC([O-])=O * inchi key: ** InChIKey=OAKU...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-380 CPD-380] == * smiles: ** C(=O)([O-])C(=O)CS(=O)(=O)[O-] * inchi key: ** InChIKey=BUTHMS...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=MALONATE-S-ALD MALONATE-S-ALD] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-380 CPD-380] ==
 
* smiles:
 
* smiles:
** [CH](=O)CC([O-])=O
+
** C(=O)([O-])C(=O)CS(=O)(=O)[O-]
 
* inchi key:
 
* inchi key:
** InChIKey=OAKURXIZZOAYBC-UHFFFAOYSA-M
+
** InChIKey=BUTHMSUEBYPMKJ-UHFFFAOYSA-L
 
* common name:
 
* common name:
** 3-oxopropanoate
+
** 3-sulfopyruvate
 
* molecular weight:
 
* molecular weight:
** 87.055    
+
** 166.105    
 
* Synonym(s):
 
* Synonym(s):
** malonate semialdehyde
+
** sulfopyruvate
** malonic semialdehyde
+
** 3-Sulfopyruvic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-2902]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-11737]]
 
== External links  ==
 
== External links  ==
* CAS : 926-61-4
 
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9543142 9543142]
 
* HMDB : HMDB11111
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00222 C00222]
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** [http://www.genome.jp/dbget-bin/www_bget?C05528 C05528]
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.7822115.html 7822115]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=33190 33190]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57940 57940]
* METABOLIGHTS : MTBLC33190
+
* METABOLIGHTS : MTBLC57940
{{#set: smiles=[CH](=O)CC([O-])=O}}
+
* PUBCHEM:
{{#set: inchi key=InChIKey=OAKURXIZZOAYBC-UHFFFAOYSA-M}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245217 25245217]
{{#set: common name=3-oxopropanoate}}
+
* HMDB : HMDB04045
{{#set: molecular weight=87.055   }}
+
{{#set: smiles=C(=O)([O-])C(=O)CS(=O)(=O)[O-]}}
{{#set: common name=malonate semialdehyde|malonic semialdehyde}}
+
{{#set: inchi key=InChIKey=BUTHMSUEBYPMKJ-UHFFFAOYSA-L}}
{{#set: consumed by=RXN-2902}}
+
{{#set: common name=3-sulfopyruvate}}
 +
{{#set: molecular weight=166.105   }}
 +
{{#set: common name=sulfopyruvate|3-Sulfopyruvic acid}}
 +
{{#set: reversible reaction associated=RXN-11737}}

Latest revision as of 19:59, 21 March 2018

Metabolite CPD-380

  • smiles:
    • C(=O)([O-])C(=O)CS(=O)(=O)[O-]
  • inchi key:
    • InChIKey=BUTHMSUEBYPMKJ-UHFFFAOYSA-L
  • common name:
    • 3-sulfopyruvate
  • molecular weight:
    • 166.105
  • Synonym(s):
    • sulfopyruvate
    • 3-Sulfopyruvic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57940
  • PUBCHEM:
  • HMDB : HMDB04045
"C(=O)([O-])C(=O)CS(=O)(=O)[O-" cannot be used as a page name in this wiki.