Difference between revisions of "CPD-13014"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LYS LYS] == * smiles: ** C([N+])CCCC([N+])C([O-])=O * inchi key: ** InChIKey=KDXKERNSBIXSRK-YFK...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13014 CPD-13014] == * smiles: ** CCCC(OCC(OC(CCC)=O)COC(CCC)=O)=O * inchi key: ** InChIKey=...")
 
(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=LYS LYS] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13014 CPD-13014] ==
 
* smiles:
 
* smiles:
** C([N+])CCCC([N+])C([O-])=O
+
** CCCC(OCC(OC(CCC)=O)COC(CCC)=O)=O
 
* inchi key:
 
* inchi key:
** InChIKey=KDXKERNSBIXSRK-YFKPBYRVSA-O
+
** InChIKey=UYXTWWCETRIEDR-UHFFFAOYSA-N
 
* common name:
 
* common name:
** L-lysine
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** tributyrin
 
* molecular weight:
 
* molecular weight:
** 147.197    
+
** 302.367    
 
* Synonym(s):
 
* Synonym(s):
** K
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** butyryl triglyceride
** lysine
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** butanoic acid, 1,2,3-propanetriyl ester
** L-lys
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** 1,2,3-tributyrylglycerol
** lys
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** tributin
** 2,6-diaminohexanoic acid
+
** tributyrinine
** lysine acid
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** glycerol tributyrate
 +
** glyceryl tributyrate
 +
** butyrin
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-1961]]
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* [[RXN-12086]]
* [[LYSINE--TRNA-LIGASE-RXN]]
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* [[biomass_rxn]]
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* [[1.5.1.8-RXN]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[DIAMINOPIMDECARB-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 56-87-1
 
* BIGG : 33655
 
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460926 5460926]
 
* HMDB : HMDB00182
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00047 C00047]
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** [http://www.genome.jp/dbget-bin/www_bget?C13870 C13870]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.13849665.html 13849665]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32551 32551]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=35020 35020]
* METABOLIGHTS : MTBLC32551
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* PUBCHEM:
{{#set: smiles=C([N+])CCCC([N+])C([O-])=O}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6050 6050]
{{#set: inchi key=InChIKey=KDXKERNSBIXSRK-YFKPBYRVSA-O}}
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* HMDB : HMDB31094
{{#set: common name=L-lysine}}
+
{{#set: smiles=CCCC(OCC(OC(CCC)=O)COC(CCC)=O)=O}}
{{#set: molecular weight=147.197   }}
+
{{#set: inchi key=InChIKey=UYXTWWCETRIEDR-UHFFFAOYSA-N}}
{{#set: common name=K|lysine|L-lys|lys|2,6-diaminohexanoic acid|lysine acid}}
+
{{#set: common name=tributyrin}}
{{#set: consumed by=RXN-1961|LYSINE--TRNA-LIGASE-RXN|biomass_rxn|1.5.1.8-RXN}}
+
{{#set: molecular weight=302.367   }}
{{#set: produced by=DIAMINOPIMDECARB-RXN}}
+
{{#set: common name=butyryl triglyceride|butanoic acid, 1,2,3-propanetriyl ester|1,2,3-tributyrylglycerol|tributin|tributyrinine|glycerol tributyrate|glyceryl tributyrate|butyrin}}
 +
{{#set: consumed by=RXN-12086}}

Latest revision as of 20:59, 21 March 2018

Metabolite CPD-13014

  • smiles:
    • CCCC(OCC(OC(CCC)=O)COC(CCC)=O)=O
  • inchi key:
    • InChIKey=UYXTWWCETRIEDR-UHFFFAOYSA-N
  • common name:
    • tributyrin
  • molecular weight:
    • 302.367
  • Synonym(s):
    • butyryl triglyceride
    • butanoic acid, 1,2,3-propanetriyl ester
    • 1,2,3-tributyrylglycerol
    • tributin
    • tributyrinine
    • glycerol tributyrate
    • glyceryl tributyrate
    • butyrin

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links