Difference between revisions of "CHC T00009422001"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CIT CIT] == * smiles: ** C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-] * inchi key: ** InChIKey=KRKNYBC...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10472 CPD-10472] == * smiles: ** C[S+](C)CCC=O * inchi key: ** InChIKey=OISJAAYQHIBAQP-UHFF...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CIT CIT] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10472 CPD-10472] ==
 
* smiles:
 
* smiles:
** C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-]
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** C[S+](C)CCC=O
 
* inchi key:
 
* inchi key:
** InChIKey=KRKNYBCHXYNGOX-UHFFFAOYSA-K
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** InChIKey=OISJAAYQHIBAQP-UHFFFAOYSA-N
 
* common name:
 
* common name:
** citrate
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** 3-dimethylsulfoniopropionaldehyde
 
* molecular weight:
 
* molecular weight:
** 189.101    
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** 119.201    
 
* Synonym(s):
 
* Synonym(s):
** citr
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** DMSP-aldehyde
** cit
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** citric acid
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** 2-hydroxy-1,2,3-propanetricarboxylic acid
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[ATP-CITRATE-PRO-S--LYASE-RXN]]
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* [[RXN-9758]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[CITSYN-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-14047]]
 
* [[ACONITATEDEHYDR-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 77-92-9
 
* METABOLIGHTS : MTBLC16947
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=31348 31348]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=19824238 19824238]
* KNAPSACK : C00007619
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* HMDB : HMDB00094
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00158 C00158]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.29081.html 29081]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16947 16947]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=74027 74027]
* BIGG : cit
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* METABOLIGHTS : MTBLC74027
{{#set: smiles=C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-]}}
+
{{#set: smiles=C[S+](C)CCC=O}}
{{#set: inchi key=InChIKey=KRKNYBCHXYNGOX-UHFFFAOYSA-K}}
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{{#set: inchi key=InChIKey=OISJAAYQHIBAQP-UHFFFAOYSA-N}}
{{#set: common name=citrate}}
+
{{#set: common name=3-dimethylsulfoniopropionaldehyde}}
{{#set: molecular weight=189.101   }}
+
{{#set: molecular weight=119.201   }}
{{#set: common name=citr|cit|citric acid|2-hydroxy-1,2,3-propanetricarboxylic acid}}
+
{{#set: common name=DMSP-aldehyde}}
{{#set: consumed by=ATP-CITRATE-PRO-S--LYASE-RXN}}
+
{{#set: consumed by=RXN-9758}}
{{#set: produced by=CITSYN-RXN}}
+
{{#set: consumed or produced by=RXN-14047|ACONITATEDEHYDR-RXN}}
+

Revision as of 12:26, 18 January 2018

Metabolite CPD-10472

  • smiles:
    • C[S+](C)CCC=O
  • inchi key:
    • InChIKey=OISJAAYQHIBAQP-UHFFFAOYSA-N
  • common name:
    • 3-dimethylsulfoniopropionaldehyde
  • molecular weight:
    • 119.201
  • Synonym(s):
    • DMSP-aldehyde

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C[S+](C)CCC=O" cannot be used as a page name in this wiki.