Difference between revisions of "CPD-13172"

From metabolic_network
Jump to: navigation, search
(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...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13172 CPD-13172] == * smiles: ** C(=O)(C1(O)(C=CCCC(=O)1))[O-] * inchi key: ** InChIKey=WEZ...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7066 CPD-7066] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13172 CPD-13172] ==
 
* smiles:
 
* smiles:
** CC(C(=O)[O-])C(O)C([O-])=O
+
** C(=O)(C1(O)(C=CCCC(=O)1))[O-]
 
* inchi key:
 
* inchi key:
** InChIKey=NPYQJIHHTGFBLN-STHAYSLISA-L
+
** InChIKey=WEZWWZKUBQCMBL-UHFFFAOYSA-M
 
* common name:
 
* common name:
** (2R,3S)-3-methylmalate
+
** 6-hydroxy-2-cyclohexen-one-carboxylate
 
* molecular weight:
 
* molecular weight:
** 146.099    
+
** 155.13    
 
* Synonym(s):
 
* Synonym(s):
** D-erythro-3-methylmalate
+
** 6-hydroxy-2-cyclohexen-one-carboxylic acid
** erythro-β-methyl-D-malate
+
** HCC
** β-erythro-methylmalate
+
** 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]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=52940166 52940166]
* CHEBI:
+
{{#set: smiles=C(=O)(C1(O)(C=CCCC(=O)1))[O-]}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58511 58511]
+
{{#set: inchi key=InChIKey=WEZWWZKUBQCMBL-UHFFFAOYSA-M}}
* LIGAND-CPD:
+
{{#set: common name=6-hydroxy-2-cyclohexen-one-carboxylate}}
** [http://www.genome.jp/dbget-bin/www_bget?C06029 C06029]
+
{{#set: molecular weight=155.13   }}
{{#set: smiles=CC(C(=O)[O-])C(O)C([O-])=O}}
+
{{#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}}
+

Revision as of 16:23, 23 May 2018

Metabolite CPD-13172

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