Difference between revisions of "3-OXOPIMELOYL-COA"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=IMIDAZOLE-ACETOL-P IMIDAZOLE-ACETOL-P] == * smiles: ** C1(NC=NC=1CC(COP([O-])(=O)[O-])=O) * inc...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-31 CPD-31] == * smiles: ** CC(O)(C(=O)[O-])CC(=O)[O-] * common name: ** (R)-citramalate * i...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=IMIDAZOLE-ACETOL-P IMIDAZOLE-ACETOL-P] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-31 CPD-31] ==
 
* smiles:
 
* smiles:
−
** C1(NC=NC=1CC(COP([O-])(=O)[O-])=O)
+
** CC(O)(C(=O)[O-])CC(=O)[O-]
−
* inchi key:
+
−
** InChIKey=YCFFMSOLUMRAMD-UHFFFAOYSA-L
+
 
* common name:
 
* common name:
−
** imidazole acetol-phosphate
+
** (R)-citramalate
 +
* inchi key:
 +
** InChIKey=XFTRTWQBIOMVPK-RXMQYKEDSA-L
 
* molecular weight:
 
* molecular weight:
−
** 218.105    
+
** 146.099    
 
* Synonym(s):
 
* Synonym(s):
−
** imidazole acetol-P
+
** (R)-2-methylmalic acid
−
** 3-(imidazol-4-yl)-2-oxopropyl phosphate
+
** (3R)-citramalate
 +
** (3R)-citramalic acid
 +
** (3R)-α-hydroxypyrotartaric acid
 +
** D-citramalate
 +
** D-citramalic acid
 +
** D-α-hydroxypyrotartaric acid
 +
** (R)-2-methylmalate
 +
** (R)-(-)-citramalic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[HISTAMINOTRANS-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[IMIDPHOSDEHYD-RXN]]
+
* [[RXN-7743]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 99979-59-6
+
* CAS : 6236-10-8
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244516 25244516]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460281 5460281]
−
* HMDB : HMDB12236
+
* CHEMSPIDER:
−
* LIGAND-CPD:
+
** [http://www.chemspider.com/Chemical-Structure.4573870.html 4573870]
−
** [http://www.genome.jp/dbget-bin/www_bget?C01267 C01267]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57766 57766]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30934 30934]
−
* BIGG : imacp
+
* LIGAND-CPD:
−
{{#set: smiles=C1(NC=NC=1CC(COP([O-])(=O)[O-])=O)}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C02612 C02612]
−
{{#set: inchi key=InChIKey=YCFFMSOLUMRAMD-UHFFFAOYSA-L}}
+
{{#set: smiles=CC(O)(C(=O)[O-])CC(=O)[O-]}}
−
{{#set: common name=imidazole acetol-phosphate}}
+
{{#set: common name=(R)-citramalate}}
−
{{#set: molecular weight=218.105   }}
+
{{#set: inchi key=InChIKey=XFTRTWQBIOMVPK-RXMQYKEDSA-L}}
−
{{#set: common name=imidazole acetol-P|3-(imidazol-4-yl)-2-oxopropyl phosphate}}
+
{{#set: molecular weight=146.099   }}
−
{{#set: consumed by=HISTAMINOTRANS-RXN}}
+
{{#set: common name=(R)-2-methylmalic acid|(3R)-citramalate|(3R)-citramalic acid|(3R)-α-hydroxypyrotartaric acid|D-citramalate|D-citramalic acid|D-α-hydroxypyrotartaric acid|(R)-2-methylmalate|(R)-(-)-citramalic acid}}
−
{{#set: produced by=IMIDPHOSDEHYD-RXN}}
+
{{#set: produced by=RXN-7743}}

Revision as of 16:49, 21 March 2018

Metabolite CPD-31

  • smiles:
    • CC(O)(C(=O)[O-])CC(=O)[O-]
  • common name:
    • (R)-citramalate
  • inchi key:
    • InChIKey=XFTRTWQBIOMVPK-RXMQYKEDSA-L
  • molecular weight:
    • 146.099
  • Synonym(s):
    • (R)-2-methylmalic acid
    • (3R)-citramalate
    • (3R)-citramalic acid
    • (3R)-α-hydroxypyrotartaric acid
    • D-citramalate
    • D-citramalic acid
    • D-α-hydroxypyrotartaric acid
    • (R)-2-methylmalate
    • (R)-(-)-citramalic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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



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