Difference between revisions of "CPD-13014"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=NEUROSPORENE NEUROSPORENE] == * smiles: ** CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(CCC=C(CCC=C(C...")
(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 * common name: ** tributy...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=NEUROSPORENE NEUROSPORENE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13014 CPD-13014] ==
 
* smiles:
 
* smiles:
−
** CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(CCC=C(CCC=C(C)C)C)C)C)C)C)C)C
+
** CCCC(OCC(OC(CCC)=O)COC(CCC)=O)=O
−
* inchi key:
+
−
** InChIKey=ATCICVFRSJQYDV-XILUKMICSA-N
+
 
* common name:
 
* common name:
−
** all-trans neurosporene
+
** tributyrin
 +
* inchi key:
 +
** InChIKey=UYXTWWCETRIEDR-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 538.898    
+
** 302.367    
 
* Synonym(s):
 
* Synonym(s):
−
** 7,8-dihydro-ψ,ψ-carotene
+
** butyryl triglyceride
−
** neurosporene
+
** 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 consume the compound ==
−
* [[R96]]
+
* [[RXN-12086]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-8022]]
 
−
* [[R95]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-8038]]
 
−
* [[RXN-8040]]
 
 
== External links  ==
 
== External links  ==
−
* LIPID_MAPS : LMPR01070086
 
−
* PUBCHEM:
 
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280789 5280789]
 
−
* HMDB : HMDB03114
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C05431 C05431]
+
** [http://www.genome.jp/dbget-bin/www_bget?C13870 C13870]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.4444347.html 4444347]
+
** [http://www.chemspider.com/Chemical-Structure.13849665.html 13849665]
 +
* HMDB : HMDB31094
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16833 16833]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=35020 35020]
−
{{#set: smiles=CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(CCC=C(CCC=C(C)C)C)C)C)C)C)C)C}}
+
* PUBCHEM:
−
{{#set: inchi key=InChIKey=ATCICVFRSJQYDV-XILUKMICSA-N}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6050 6050]
−
{{#set: common name=all-trans neurosporene}}
+
{{#set: smiles=CCCC(OCC(OC(CCC)=O)COC(CCC)=O)=O}}
−
{{#set: molecular weight=538.898   }}
+
{{#set: common name=tributyrin}}
−
{{#set: common name=7,8-dihydro-ψ,ψ-carotene|neurosporene}}
+
{{#set: inchi key=InChIKey=UYXTWWCETRIEDR-UHFFFAOYSA-N}}
−
{{#set: consumed by=R96}}
+
{{#set: molecular weight=302.367   }}
−
{{#set: produced by=RXN-8022|R95}}
+
{{#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 or produced by=RXN-8038|RXN-8040}}
+
{{#set: consumed by=RXN-12086}}

Latest revision as of 21:23, 21 March 2018

Metabolite CPD-13014

  • smiles:
    • CCCC(OCC(OC(CCC)=O)COC(CCC)=O)=O
  • common name:
    • tributyrin
  • inchi key:
    • InChIKey=UYXTWWCETRIEDR-UHFFFAOYSA-N
  • 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




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