Difference between revisions of "LUMAZINESYN-RXN"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PYRUVATE PYRUVATE] == * smiles: ** CC(=O)C(=O)[O-] * inchi key: ** InChIKey=LCTONWCANYUPML-UHFF...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13040 CPD-13040] == * smiles: ** CCCC(OCC(OC(CCC)=O)CO)=O * inchi key: ** InChIKey=AWHAUPZH...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PYRUVATE PYRUVATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13040 CPD-13040] ==
 
* smiles:
 
* smiles:
−
** CC(=O)C(=O)[O-]
+
** CCCC(OCC(OC(CCC)=O)CO)=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=LCTONWCANYUPML-UHFFFAOYSA-M
+
** InChIKey=AWHAUPZHZYUHOM-VIFPVBQESA-N
 
* common name:
 
* common name:
−
** pyruvate
+
** 1,2-dibutyrin
 
* molecular weight:
 
* molecular weight:
−
** 87.055    
+
** 232.276    
 
* Synonym(s):
 
* Synonym(s):
−
** alpha-ketopropionic acid
+
** glycerol 1,2-dibutanoate
−
** BTS
+
** β-dibutyrin
−
** α-ketopropionic acid
+
** butanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester
−
** acetylformic acid
+
** dibutyrylglycerol
−
** pyroracemic acid
+
−
** 2-oxopropanoic acid
+
−
** pyruvic acid
+
−
** 2-oxopropanoate
+
−
** 2-oxo-propionic acid
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[DXS-RXN]]
 
−
* [[ACETOOHBUTSYN-RXN]]
 
−
* [[RXN-12583]]
 
−
* [[PEPSYNTH-RXN]]
 
−
* [[PYFLAVOXRE-RXN]]
 
−
* [[DIHYDRODIPICSYN-RXN]]
 
−
* [[ACETOLACTSYN-RXN]]
 
−
* [[PYRUVDEH-RXN]]
 
−
* [[PYRUVATEORTHOPHOSPHATE-DIKINASE-RXN]]
 
−
* [[RXN0-1134]]
 
−
* [[PYRUVATE-CARBOXYLASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[4-HYDROXY-2-KETOPIMELATE-LYSIS-RXN]]
+
* [[RXN-12086]]
−
* [[KDPGALDOL-RXN]]
+
−
* [[LCYSDESULF-RXN]]
+
−
* [[MALIC-NADP-RXN]]
+
−
* [[CYSTHIOCYS-RXN]]
+
−
* [[RXN-15127]]
+
−
* [[CYSTATHIONINE-BETA-LYASE-RXN]]
+
−
* [[RXN-8899]]
+
−
* [[RXN-12729]]
+
−
* [[1.1.1.39-RXN]]
+
−
* [[OXALODECARB-RXN]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[ALANINE--GLYOXYLATE-AMINOTRANSFERASE-RXN]]
 
−
* [[RXN-14117]]
 
−
* [[RXN-13698]]
 
−
* [[RXN-13990]]
 
−
* [[ALANINE-AMINOTRANSFERASE-RXN]]
 
−
* [[RXN-14146]]
 
−
* [[D-ALANINE-AMINOTRANSFERASE-RXN]]
 
−
* [[RXN-14192]]
 
−
* [[RXN3O-4157]]
 
−
* [[ADCLY-RXN]]
 
−
* [[PEPDEPHOS-RXN]]
 
−
* [[PYRUFLAVREDUCT-RXN]]
 
−
* [[4OH2OXOGLUTARALDOL-RXN]]
 
−
* [[L-LACTATE-DEHYDROGENASE-RXN]]
 
−
* [[ANTHRANSYN-RXN]]
 
−
* [[RXN-14207]]
 
−
* [[ALANINE-DEHYDROGENASE-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* UM-BBD-CPD : c0159
+
* CAS : 24814-35-5
−
* CAS : 127-17-3
+
−
* BIGG : 33546
+
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=107735 107735]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5327007 5327007]
−
* KNAPSACK : C00001200
+
−
* HMDB : HMDB00243
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00022 C00022]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.96901.html 96901]
+
** [http://www.chemspider.com/Chemical-Structure.8352519.html 8352519]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15361 15361]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76537 76537]
−
* METABOLIGHTS : MTBLC15361
+
{{#set: smiles=CCCC(OCC(OC(CCC)=O)CO)=O}}
−
{{#set: smiles=CC(=O)C(=O)[O-]}}
+
{{#set: inchi key=InChIKey=AWHAUPZHZYUHOM-VIFPVBQESA-N}}
−
{{#set: inchi key=InChIKey=LCTONWCANYUPML-UHFFFAOYSA-M}}
+
{{#set: common name=1,2-dibutyrin}}
−
{{#set: common name=pyruvate}}
+
{{#set: molecular weight=232.276   }}
−
{{#set: molecular weight=87.055   }}
+
{{#set: common name=glycerol 1,2-dibutanoate|β-dibutyrin|butanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester|dibutyrylglycerol}}
−
{{#set: common name=alpha-ketopropionic acid|BTS|α-ketopropionic acid|acetylformic acid|pyroracemic acid|2-oxopropanoic acid|pyruvic acid|2-oxopropanoate|2-oxo-propionic acid}}
+
{{#set: produced by=RXN-12086}}
−
{{#set: consumed by=DXS-RXN|ACETOOHBUTSYN-RXN|RXN-12583|PEPSYNTH-RXN|PYFLAVOXRE-RXN|DIHYDRODIPICSYN-RXN|ACETOLACTSYN-RXN|PYRUVDEH-RXN|PYRUVATEORTHOPHOSPHATE-DIKINASE-RXN|RXN0-1134|PYRUVATE-CARBOXYLASE-RXN}}
+
−
{{#set: produced by=4-HYDROXY-2-KETOPIMELATE-LYSIS-RXN|KDPGALDOL-RXN|LCYSDESULF-RXN|MALIC-NADP-RXN|CYSTHIOCYS-RXN|RXN-15127|CYSTATHIONINE-BETA-LYASE-RXN|RXN-8899|RXN-12729|1.1.1.39-RXN|OXALODECARB-RXN}}
+
−
{{#set: reversible reaction associated=ALANINE--GLYOXYLATE-AMINOTRANSFERASE-RXN|RXN-14117|RXN-13698|RXN-13990|ALANINE-AMINOTRANSFERASE-RXN|RXN-14146|D-ALANINE-AMINOTRANSFERASE-RXN|RXN-14192|RXN3O-4157|ADCLY-RXN|PEPDEPHOS-RXN|PYRUFLAVREDUCT-RXN|4OH2OXOGLUTARALDOL-RXN|L-LACTATE-DEHYDROGENASE-RXN|ANTHRANSYN-RXN|RXN-14207|ALANINE-DEHYDROGENASE-RXN}}
+

Revision as of 13:43, 21 March 2018

Metabolite CPD-13040

  • smiles:
    • CCCC(OCC(OC(CCC)=O)CO)=O
  • inchi key:
    • InChIKey=AWHAUPZHZYUHOM-VIFPVBQESA-N
  • common name:
    • 1,2-dibutyrin
  • molecular weight:
    • 232.276
  • Synonym(s):
    • glycerol 1,2-dibutanoate
    • β-dibutyrin
    • butanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester
    • dibutyrylglycerol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=LUMAZINESYN-RXN&oldid=21058"