Difference between revisions of "Tiso gene 18647"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COUMARATE COUMARATE] == * smiles: ** C(=O)([O-])C=CC1(=CC=C(O)C=C1) * inchi key: ** InChIKey=NG...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETAMIDE ACETAMIDE] == * smiles: ** CC(=O)N * inchi key: ** InChIKey=DLFVBJFMPXGRIB-UHFFFAOYSA...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COUMARATE COUMARATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETAMIDE ACETAMIDE] ==
 
* smiles:
 
* smiles:
−
** C(=O)([O-])C=CC1(=CC=C(O)C=C1)
+
** CC(=O)N
 
* inchi key:
 
* inchi key:
−
** InChIKey=NGSWKAQJJWESNS-ZZXKWVIFSA-M
+
** InChIKey=DLFVBJFMPXGRIB-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** 4-coumarate
+
** acetamide
 
* molecular weight:
 
* molecular weight:
−
** 163.152    
+
** 59.068    
 
* Synonym(s):
 
* Synonym(s):
−
** 4-hydroxycinnamate
 
−
** 4-hydroxycinnamic acid
 
−
** p-coumarate
 
−
** trans-4-hydroxycinnamate
 
−
** p-coumaric acid
 
−
** trans-p-hydroxycinnamate
 
−
** trans-4-coumarate
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[4-COUMARATE--COA-LIGASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[TRANS-CINNAMATE-4-MONOOXYGENASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-14728]]
 
== External links  ==
 
== External links  ==
−
* CAS : 7400-08-0
+
* CAS : 60-35-5
 +
* DRUGBANK : DB02736
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54708745 54708745]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=178 178]
−
* HMDB : HMDB02035
+
* HMDB : HMDB31645
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C00811 C00811]
+
** [http://www.genome.jp/dbget-bin/www_bget?C06244 C06244]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.4450678.html 4450678]
+
** [http://www.chemspider.com/Chemical-Structure.173.html 173]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=12876 12876]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27856 27856]
−
* METABOLIGHTS : MTBLC12876
+
* METABOLIGHTS : MTBLC27856
−
{{#set: smiles=C(=O)([O-])C=CC1(=CC=C(O)C=C1)}}
+
{{#set: smiles=CC(=O)N}}
−
{{#set: inchi key=InChIKey=NGSWKAQJJWESNS-ZZXKWVIFSA-M}}
+
{{#set: inchi key=InChIKey=DLFVBJFMPXGRIB-UHFFFAOYSA-N}}
−
{{#set: common name=4-coumarate}}
+
{{#set: common name=acetamide}}
−
{{#set: molecular weight=163.152   }}
+
{{#set: molecular weight=59.068   }}
−
{{#set: common name=4-hydroxycinnamate|4-hydroxycinnamic acid|p-coumarate|trans-4-hydroxycinnamate|p-coumaric acid|trans-p-hydroxycinnamate|trans-4-coumarate}}
+
{{#set: reversible reaction associated=RXN-14728}}
−
{{#set: consumed by=4-COUMARATE--COA-LIGASE-RXN}}
+
−
{{#set: produced by=TRANS-CINNAMATE-4-MONOOXYGENASE-RXN}}
+

Revision as of 18:47, 18 March 2018

Metabolite ACETAMIDE

  • smiles:
    • CC(=O)N
  • inchi key:
    • InChIKey=DLFVBJFMPXGRIB-UHFFFAOYSA-N
  • common name:
    • acetamide
  • molecular weight:
    • 59.068
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 60-35-5
  • DRUGBANK : DB02736
  • PUBCHEM:
  • HMDB : HMDB31645
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC27856



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