Difference between revisions of "BUTYRIC ACID"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-934 CPD0-934] == * smiles: ** CCCCCCCCCCCCCC(=O)OC(CC(OC2(C(C(OCC1(OC(OP([O-])(=O)[O-])C(N...")
(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...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-934 CPD0-934] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BUTYRIC_ACID BUTYRIC_ACID] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCC(=O)OC(CC(OC2(C(C(OCC1(OC(OP([O-])(=O)[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(C2OP([O-])([O-])=O)COC8(C([O-])=O)(OC(C(O)CO)C(OC6(OC(C(CO)O)C(C(OC5(OC(C(COC3(OC(C(CO)O)C(C(O)C3O)O))O)C(C(OC4(C(C(C(C(CO)O4)O)O)O))C5O)O))C6O)OP([O-])(=O)[O-]))C(OC7(C(=O)[O-])(OC(C(O)CO)C(O)C(O)C7))C8))NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC
+
** CCCC(=O)[O-]
−
* inchi key:
+
−
** InChIKey=QHKUHEQURQLSFA-JYYSNNMZSA-F
+
 
* common name:
 
* common name:
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** glucosyl-(heptosyl)3-Kdo2-lipid A-phosphate
+
** butanoate
 +
* inchi key:
 +
** InChIKey=FERIUCNNQQJTOY-UHFFFAOYSA-M
 
* molecular weight:
 
* molecular weight:
−
** 3049.306    
+
** 87.098    
 
* Synonym(s):
 
* 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 consume the compound ==
−
* [[RXN-14361]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-12086]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* UM-BBD-CPD : c0035
 +
* CAS : 107-92-6
 +
* BIGG : but
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659315 90659315]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=104775 104775]
 +
* HMDB : HMDB00039
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C00246 C00246]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.94582.html 94582]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61999 61999]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17968 17968]
−
{{#set: smiles=CCCCCCCCCCCCCC(=O)OC(CC(OC2(C(C(OCC1(OC(OP([O-])(=O)[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(C2OP([O-])([O-])=O)COC8(C([O-])=O)(OC(C(O)CO)C(OC6(OC(C(CO)O)C(C(OC5(OC(C(COC3(OC(C(CO)O)C(C(O)C3O)O))O)C(C(OC4(C(C(C(C(CO)O4)O)O)O))C5O)O))C6O)OP([O-])(=O)[O-]))C(OC7(C(=O)[O-])(OC(C(O)CO)C(O)C(O)C7))C8))NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC}}
+
* METABOLIGHTS : MTBLC17968
−
{{#set: inchi key=InChIKey=QHKUHEQURQLSFA-JYYSNNMZSA-F}}
+
{{#set: smiles=CCCC(=O)[O-]}}
−
{{#set: common name=glucosyl-(heptosyl)3-Kdo2-lipid A-phosphate}}
+
{{#set: common name=butanoate}}
−
{{#set: molecular weight=3049.306    }}
+
{{#set: inchi key=InChIKey=FERIUCNNQQJTOY-UHFFFAOYSA-M}}
−
{{#set: consumed by=RXN-14361}}
+
{{#set: molecular weight=87.098    }}
 +
{{#set: common name=butyrate|butyric acid|butanoic acid|ethylacetic acid|n-butanoate|1-propanecarboxylic acid|propylformic acid}}
 +
{{#set: produced by=RXN-12086}}

Latest revision as of 20:10, 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.



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