Difference between revisions of "CPD-13172"

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(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...")
 
 
(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=CPD-7066 CPD-7066] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13172 CPD-13172] ==
 
* smiles:
 
* smiles:
** CC(C(=O)[O-])C(O)C([O-])=O
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** C(=O)(C1(O)(C=CCCC(=O)1))[O-]
 +
* molecular weight:
 +
** 155.13   
 
* inchi key:
 
* inchi key:
** InChIKey=NPYQJIHHTGFBLN-STHAYSLISA-L
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** InChIKey=WEZWWZKUBQCMBL-UHFFFAOYSA-M
 
* common name:
 
* common name:
** (2R,3S)-3-methylmalate
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** 6-hydroxy-2-cyclohexen-one-carboxylate
* molecular weight:
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** 146.099   
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* Synonym(s):
 
* Synonym(s):
** D-erythro-3-methylmalate
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** 6-hydroxy-2-cyclohexen-one-carboxylic acid
** erythro-β-methyl-D-malate
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** HCC
** β-erythro-methylmalate
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** β-methyl-D-malate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-7745]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-12252]]
 
== 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=45266666 45266666]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=52940166 52940166]
* CHEBI:
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{{#set: smiles=C(=O)(C1(O)(C=CCCC(=O)1))[O-]}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58511 58511]
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{{#set: molecular weight=155.13    }}
* LIGAND-CPD:
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{{#set: inchi key=InChIKey=WEZWWZKUBQCMBL-UHFFFAOYSA-M}}
** [http://www.genome.jp/dbget-bin/www_bget?C06029 C06029]
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{{#set: common name=6-hydroxy-2-cyclohexen-one-carboxylate}}
{{#set: smiles=CC(C(=O)[O-])C(O)C([O-])=O}}
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{{#set: common name=6-hydroxy-2-cyclohexen-one-carboxylic acid|HCC}}
{{#set: inchi key=InChIKey=NPYQJIHHTGFBLN-STHAYSLISA-L}}
+
{{#set: produced by=RXN-12252}}
{{#set: common name=(2R,3S)-3-methylmalate}}
+
{{#set: molecular weight=146.099    }}
+
{{#set: common name=D-erythro-3-methylmalate|erythro-β-methyl-D-malate|β-erythro-methylmalate|β-methyl-D-malate}}
+
{{#set: consumed by=RXN-7745}}
+

Latest revision as of 18:11, 9 January 2019

Metabolite CPD-13172

  • smiles:
    • C(=O)(C1(O)(C=CCCC(=O)1))[O-]
  • molecular weight:
    • 155.13
  • inchi key:
    • InChIKey=WEZWWZKUBQCMBL-UHFFFAOYSA-M
  • common name:
    • 6-hydroxy-2-cyclohexen-one-carboxylate
  • Synonym(s):
    • 6-hydroxy-2-cyclohexen-one-carboxylic acid
    • HCC

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(=O)(C1(O)(C=CCCC(=O)1))[O-" cannot be used as a page name in this wiki.