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=3-OCTAPRENYL-4-HYDROXYBENZOATE 3-OCTAPRENYL-4-HYDROXYBENZOATE] == * smiles: ** CC(=CCCC(=CCCC(=...")
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=3-OCTAPRENYL-4-HYDROXYBENZOATE 3-OCTAPRENYL-4-HYDROXYBENZOATE] ==
 
* smiles:
 
* smiles:
−
** CC([CH]=O)C(=O)[O-]
+
** CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C
 
* inchi key:
 
* inchi key:
−
** InChIKey=VOKUMXABRRXHAR-VKHMYHEASA-M
+
** InChIKey=UTIBHEBNILDQKX-LQOKPSQISA-M
 
* common name:
 
* common name:
−
** (S)-methylmalonate-semialdehyde
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** 3-octaprenyl-4-hydroxybenzoate
 
* molecular weight:
 
* molecular weight:
−
** 101.082    
+
** 682.06    
 
* 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]]
+
* [[4OHBENZOATE-OCTAPRENYLTRANSFER-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:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173457 46173457]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54685638 54685638]
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* HMDB : HMDB02217
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* CHEMSPIDER:
−
* LIGAND-CPD:
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** [http://www.chemspider.com/Chemical-Structure.5256806.html 5256806]
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** [http://www.genome.jp/dbget-bin/www_bget?C06002 C06002]
+
 
* CHEBI:
 
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62413 62413]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=1617 1617]
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* METABOLIGHTS : MTBLC62413
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* BIGG : 46544
−
{{#set: smiles=CC([CH]=O)C(=O)[O-]}}
+
* LIGAND-CPD:
−
{{#set: inchi key=InChIKey=VOKUMXABRRXHAR-VKHMYHEASA-M}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05809 C05809]
−
{{#set: common name=(S)-methylmalonate-semialdehyde}}
+
{{#set: smiles=CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C}}
−
{{#set: molecular weight=101.082   }}
+
{{#set: inchi key=InChIKey=UTIBHEBNILDQKX-LQOKPSQISA-M}}
−
{{#set: common name=(S)-2-methyl-3-oxopropanoate|(S)-ch3-malonate-semialdehyde}}
+
{{#set: common name=3-octaprenyl-4-hydroxybenzoate}}
−
{{#set: consumed by=RXN-11213}}
+
{{#set: molecular weight=682.06   }}
−
{{#set: produced by=3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN}}
+
{{#set: produced by=4OHBENZOATE-OCTAPRENYLTRANSFER-RXN}}
−
{{#set: reversible reaction associated=2.6.1.22-RXN|RXN-14056}}
+

Revision as of 14:59, 21 March 2018

Metabolite 3-OCTAPRENYL-4-HYDROXYBENZOATE

  • smiles:
    • CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C
  • inchi key:
    • InChIKey=UTIBHEBNILDQKX-LQOKPSQISA-M
  • common name:
    • 3-octaprenyl-4-hydroxybenzoate
  • molecular weight:
    • 682.06
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C" cannot be used as a page name in this wiki.



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