Difference between revisions of "4-MALEYL-ACETOACETATE"

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(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-] * inchi key: ** InCh...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-MALEYL-ACETOACETATE 4-MALEYL-ACETOACETATE] == * smiles: ** C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CH3-MALONATE-S-ALD CH3-MALONATE-S-ALD] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-MALEYL-ACETOACETATE 4-MALEYL-ACETOACETATE] ==
 
* smiles:
 
* smiles:
−
** CC([CH]=O)C(=O)[O-]
+
** C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=VOKUMXABRRXHAR-VKHMYHEASA-M
+
** InChIKey=GACSIVHAIFQKTC-UPHRSURJSA-L
 
* common name:
 
* common name:
−
** (S)-methylmalonate-semialdehyde
+
** 4-maleyl-acetoacetate
 
* molecular weight:
 
* molecular weight:
−
** 101.082    
+
** 198.132    
 
* Synonym(s):
 
* Synonym(s):
−
** (S)-2-methyl-3-oxopropanoate
 
−
** (S)-ch3-malonate-semialdehyde
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-11213]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN]]
+
* [[HOMOGENTISATE-12-DIOXYGENASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[2.6.1.22-RXN]]
 
−
* [[RXN-14056]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 6236-08-4
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173457 46173457]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460066 5460066]
−
* HMDB : HMDB02217
+
* HMDB : HMDB02052
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C06002 C06002]
+
** [http://www.genome.jp/dbget-bin/www_bget?C01036 C01036]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.4573741.html 4573741]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62413 62413]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17105 17105]
−
* METABOLIGHTS : MTBLC62413
+
* METABOLIGHTS : MTBLC17105
−
{{#set: smiles=CC([CH]=O)C(=O)[O-]}}
+
{{#set: smiles=C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=O}}
−
{{#set: inchi key=InChIKey=VOKUMXABRRXHAR-VKHMYHEASA-M}}
+
{{#set: inchi key=InChIKey=GACSIVHAIFQKTC-UPHRSURJSA-L}}
−
{{#set: common name=(S)-methylmalonate-semialdehyde}}
+
{{#set: common name=4-maleyl-acetoacetate}}
−
{{#set: molecular weight=101.082   }}
+
{{#set: molecular weight=198.132   }}
−
{{#set: common name=(S)-2-methyl-3-oxopropanoate|(S)-ch3-malonate-semialdehyde}}
+
{{#set: produced by=HOMOGENTISATE-12-DIOXYGENASE-RXN}}
−
{{#set: consumed by=RXN-11213}}
+
−
{{#set: produced by=3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN}}
+
−
{{#set: reversible reaction associated=2.6.1.22-RXN|RXN-14056}}
+

Latest revision as of 20:00, 21 March 2018

Metabolite 4-MALEYL-ACETOACETATE

  • smiles:
    • C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=O
  • inchi key:
    • InChIKey=GACSIVHAIFQKTC-UPHRSURJSA-L
  • common name:
    • 4-maleyl-acetoacetate
  • molecular weight:
    • 198.132
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=O" cannot be used as a page name in this wiki.



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