Difference between revisions of "Ec-27 003590"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DELTA-TOCOPHEROL DELTA-TOCOPHEROL] == * smiles: ** CC(C)CCCC(C)CCCC(C)CCCC1(C)(CCC2(=CC(O)=CC(=...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7066 CPD-7066] == * smiles: ** CC(C(=O)[O-])C(O)C([O-])=O * inchi key: ** InChIKey=NPYQJIHH...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DELTA-TOCOPHEROL DELTA-TOCOPHEROL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7066 CPD-7066] ==
 
* smiles:
 
* smiles:
−
** CC(C)CCCC(C)CCCC(C)CCCC1(C)(CCC2(=CC(O)=CC(=C(O1)2)C))
+
** CC(C(=O)[O-])C(O)C([O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=GZIFEOYASATJEH-VHFRWLAGSA-N
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** InChIKey=NPYQJIHHTGFBLN-STHAYSLISA-L
 
* common name:
 
* common name:
−
** δ-tocopherol
+
** (2R,3S)-3-methylmalate
 
* molecular weight:
 
* molecular weight:
−
** 402.659    
+
** 146.099    
 
* Synonym(s):
 
* Synonym(s):
−
** 8-methyltocol
+
** D-erythro-3-methylmalate
 +
** erythro-β-methyl-D-malate
 +
** β-erythro-methylmalate
 +
** β-methyl-D-malate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-2562]]
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* [[RXN-7745]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-2561]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=92094 92094]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266666 45266666]
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* HMDB : HMDB02902
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C14151 C14151]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.83144.html 83144]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=47772 47772]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58511 58511]
−
* METABOLIGHTS : MTBLC47772
+
* LIGAND-CPD:
−
{{#set: smiles=CC(C)CCCC(C)CCCC(C)CCCC1(C)(CCC2(=CC(O)=CC(=C(O1)2)C))}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C06029 C06029]
−
{{#set: inchi key=InChIKey=GZIFEOYASATJEH-VHFRWLAGSA-N}}
+
{{#set: smiles=CC(C(=O)[O-])C(O)C([O-])=O}}
−
{{#set: common name=δ-tocopherol}}
+
{{#set: inchi key=InChIKey=NPYQJIHHTGFBLN-STHAYSLISA-L}}
−
{{#set: molecular weight=402.659   }}
+
{{#set: common name=(2R,3S)-3-methylmalate}}
−
{{#set: common name=8-methyltocol}}
+
{{#set: molecular weight=146.099   }}
−
{{#set: consumed by=RXN-2562}}
+
{{#set: common name=D-erythro-3-methylmalate|erythro-β-methyl-D-malate|β-erythro-methylmalate|β-methyl-D-malate}}
−
{{#set: produced by=RXN-2561}}
+
{{#set: consumed by=RXN-7745}}

Revision as of 13:43, 21 March 2018

Metabolite CPD-7066

  • smiles:
    • CC(C(=O)[O-])C(O)C([O-])=O
  • inchi key:
    • InChIKey=NPYQJIHHTGFBLN-STHAYSLISA-L
  • common name:
    • (2R,3S)-3-methylmalate
  • molecular weight:
    • 146.099
  • Synonym(s):
    • D-erythro-3-methylmalate
    • erythro-β-methyl-D-malate
    • β-erythro-methylmalate
    • β-methyl-D-malate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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



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