Difference between revisions of "Tiso gene 3728"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BUTYRIC_ACID BUTYRIC_ACID] == * smiles: ** CCCC(=O)[O-] * inchi key: ** InChIKey=FERIUCNNQQJTOY...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-703 CPD-703] == * smiles: ** C(=O)C1(C=CC(=CC=1)[N+]([O-])=O) * inchi key: ** InChIKey=BXRF...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BUTYRIC_ACID BUTYRIC_ACID] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-703 CPD-703] ==
 
* smiles:
 
* smiles:
** CCCC(=O)[O-]
+
** C(=O)C1(C=CC(=CC=1)[N+]([O-])=O)
 
* inchi key:
 
* inchi key:
** InChIKey=FERIUCNNQQJTOY-UHFFFAOYSA-M
+
** InChIKey=BXRFQSNOROATLV-UHFFFAOYSA-N
 
* common name:
 
* common name:
** butanoate
+
** 4-nitrobenzaldehyde
 
* molecular weight:
 
* molecular weight:
** 87.098    
+
** 151.121    
 
* Synonym(s):
 
* Synonym(s):
** butyrate
+
** 4NBZ
** butyric acid
+
** p-nitrobenzaldehyde
** 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 ==
 +
* [[RXN0-5141]]
 
== 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 : 555-16-8
* CAS : 107-92-6
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* METABOLIGHTS : MTBLC17968
+
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=104775 104775]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=541 541]
* HMDB : HMDB00039
+
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00246 C00246]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.94582.html 94582]
+
** [http://www.chemspider.com/Chemical-Structure.526.html 526]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17968 17968]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=66926 66926]
* BIGG : but
+
* NCI:
{{#set: smiles=CCCC(=O)[O-]}}
+
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=6103 6103]
{{#set: inchi key=InChIKey=FERIUCNNQQJTOY-UHFFFAOYSA-M}}
+
{{#set: smiles=C(=O)C1(C=CC(=CC=1)[N+]([O-])=O)}}
{{#set: common name=butanoate}}
+
{{#set: inchi key=InChIKey=BXRFQSNOROATLV-UHFFFAOYSA-N}}
{{#set: molecular weight=87.098   }}
+
{{#set: common name=4-nitrobenzaldehyde}}
{{#set: common name=butyrate|butyric acid|butanoic acid|ethylacetic acid|n-butanoate|1-propanecarboxylic acid|propylformic acid}}
+
{{#set: molecular weight=151.121   }}
{{#set: produced by=RXN-12086}}
+
{{#set: common name=4NBZ|p-nitrobenzaldehyde}}
 +
{{#set: consumed by=RXN0-5141}}

Revision as of 18:53, 18 March 2018

Metabolite CPD-703

  • smiles:
    • C(=O)C1(C=CC(=CC=1)[N+]([O-])=O)
  • inchi key:
    • InChIKey=BXRFQSNOROATLV-UHFFFAOYSA-N
  • common name:
    • 4-nitrobenzaldehyde
  • molecular weight:
    • 151.121
  • Synonym(s):
    • 4NBZ
    • p-nitrobenzaldehyde

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(=O)C1(C=CC(=CC=1)[N+]([O-])=O)" cannot be used as a page name in this wiki.