Difference between revisions of "BUTYRIC ACID"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PANTOTHENATE PANTOTHENATE] == * smiles: ** CC(C)(CO)C(O)C(=O)NCCC(=O)[O-] * inchi key: ** InChI...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BUTYRIC_ACID BUTYRIC_ACID] == * smiles: ** CCCC(=O)[O-] * common name: ** butanoate * inchi key...")
 
(3 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PANTOTHENATE PANTOTHENATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BUTYRIC_ACID BUTYRIC_ACID] ==
 
* smiles:
 
* smiles:
** CC(C)(CO)C(O)C(=O)NCCC(=O)[O-]
+
** CCCC(=O)[O-]
* inchi key:
+
** InChIKey=GHOKWGTUZJEAQD-ZETCQYMHSA-M
+
 
* common name:
 
* common name:
** (R)-pantothenate
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** butanoate
 +
* inchi key:
 +
** InChIKey=FERIUCNNQQJTOY-UHFFFAOYSA-M
 
* molecular weight:
 
* molecular weight:
** 218.229    
+
** 87.098    
 
* Synonym(s):
 
* Synonym(s):
** vitamin B5
+
** butyrate
** (R)-pantothenic acid
+
** butyric acid
** D-pantothenic acid
+
** butanoic acid
 +
** ethylacetic acid
 +
** n-butanoate
 +
** 1-propanecarboxylic acid
 +
** propylformic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[PANTOTHENATE-KIN-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[PANTOATE-BETA-ALANINE-LIG-RXN]]
+
* [[RXN-12086]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 79-83-4
+
* UM-BBD-CPD : c0035
* Wikipedia : Vitamin_B5
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* CAS : 107-92-6
 +
* BIGG : but
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=167945 167945]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=104775 104775]
* HMDB : HMDB00210
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* HMDB : HMDB00039
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00864 C00864]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00246 C00246]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.146912.html 146912]
+
** [http://www.chemspider.com/Chemical-Structure.94582.html 94582]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=29032 29032]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17968 17968]
* BIGG : pnto__R
+
* METABOLIGHTS : MTBLC17968
{{#set: smiles=CC(C)(CO)C(O)C(=O)NCCC(=O)[O-]}}
+
{{#set: smiles=CCCC(=O)[O-]}}
{{#set: inchi key=InChIKey=GHOKWGTUZJEAQD-ZETCQYMHSA-M}}
+
{{#set: common name=butanoate}}
{{#set: common name=(R)-pantothenate}}
+
{{#set: inchi key=InChIKey=FERIUCNNQQJTOY-UHFFFAOYSA-M}}
{{#set: molecular weight=218.229   }}
+
{{#set: molecular weight=87.098   }}
{{#set: common name=vitamin B5|(R)-pantothenic acid|D-pantothenic acid}}
+
{{#set: common name=butyrate|butyric acid|butanoic acid|ethylacetic acid|n-butanoate|1-propanecarboxylic acid|propylformic acid}}
{{#set: consumed by=PANTOTHENATE-KIN-RXN}}
+
{{#set: produced by=RXN-12086}}
{{#set: produced by=PANTOATE-BETA-ALANINE-LIG-RXN}}
+

Latest revision as of 21:10, 21 March 2018

Metabolite BUTYRIC_ACID

  • smiles:
    • CCCC(=O)[O-]
  • common name:
    • butanoate
  • inchi key:
    • InChIKey=FERIUCNNQQJTOY-UHFFFAOYSA-M
  • molecular weight:
    • 87.098
  • Synonym(s):
    • butyrate
    • butyric acid
    • butanoic acid
    • ethylacetic acid
    • n-butanoate
    • 1-propanecarboxylic acid
    • propylformic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • UM-BBD-CPD : c0035
  • CAS : 107-92-6
  • BIGG : but
  • PUBCHEM:
  • HMDB : HMDB00039
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC17968
"CCCC(=O)[O-" cannot be used as a page name in this wiki.