Difference between revisions of "3.2.1.18-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15530 CPD-15530] == * smiles: ** [CH](=O)C(O)C(O)C(O)C(O)C(=O)[O-] * inchi key: ** InChIKey...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=N-ACETYL-5-METHOXY-TRYPTAMINE N-ACETYL-5-METHOXY-TRYPTAMINE] == * smiles: ** CC(=O)NCCC2(=CNC1(...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15530 CPD-15530] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=N-ACETYL-5-METHOXY-TRYPTAMINE N-ACETYL-5-METHOXY-TRYPTAMINE] ==
 
* smiles:
 
* smiles:
−
** [CH](=O)C(O)C(O)C(O)C(O)C(=O)[O-]
+
** CC(=O)NCCC2(=CNC1(=C(C=C(OC)C=C1)2))
 
* inchi key:
 
* inchi key:
−
** InChIKey=IAJILQKETJEXLJ-QTBDOELSSA-M
+
** InChIKey=DRLFMBDRBRZALE-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** aldehydo-D-glucuronate
+
** melatonin
 
* molecular weight:
 
* molecular weight:
−
** 193.133    
+
** 232.282    
 
* Synonym(s):
 
* Synonym(s):
−
** aldehydo-D-glucuronic acid
+
** N-acetyl-5-methoxy-tryptamine
 +
** N-[2-(5-methoxyindol-3-yl)ethyl]acetamide
 +
** 5-methoxy-N-acetyltryptamine
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-11057]]
 +
* [[RXN-11056]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-14693]]
 
−
* [[GLUCUROISOM-RXN]]
 
 
== External links  ==
 
== External links  ==
 +
* CAS : 73-31-4
 +
* DRUGBANK : DB01065
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460126 5460126]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=896 896]
 +
* HMDB : HMDB01389
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C01598 C01598]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.872.html 872]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=47953 47953]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16796 16796]
−
{{#set: smiles=[CH](=O)C(O)C(O)C(O)C(O)C(=O)[O-]}}
+
* METABOLIGHTS : MTBLC16796
−
{{#set: inchi key=InChIKey=IAJILQKETJEXLJ-QTBDOELSSA-M}}
+
{{#set: smiles=CC(=O)NCCC2(=CNC1(=C(C=C(OC)C=C1)2))}}
−
{{#set: common name=aldehydo-D-glucuronate}}
+
{{#set: inchi key=InChIKey=DRLFMBDRBRZALE-UHFFFAOYSA-N}}
−
{{#set: molecular weight=193.133   }}
+
{{#set: common name=melatonin}}
−
{{#set: common name=aldehydo-D-glucuronic acid}}
+
{{#set: molecular weight=232.282   }}
−
{{#set: consumed or produced by=RXN-14693|GLUCUROISOM-RXN}}
+
{{#set: common name=N-acetyl-5-methoxy-tryptamine|N-[2-(5-methoxyindol-3-yl)ethyl]acetamide|5-methoxy-N-acetyltryptamine}}
 +
{{#set: consumed by=RXN-11057|RXN-11056}}

Revision as of 19:25, 18 March 2018

Metabolite N-ACETYL-5-METHOXY-TRYPTAMINE

  • smiles:
    • CC(=O)NCCC2(=CNC1(=C(C=C(OC)C=C1)2))
  • inchi key:
    • InChIKey=DRLFMBDRBRZALE-UHFFFAOYSA-N
  • common name:
    • melatonin
  • molecular weight:
    • 232.282
  • Synonym(s):
    • N-acetyl-5-methoxy-tryptamine
    • N-[2-(5-methoxyindol-3-yl)ethyl]acetamide
    • 5-methoxy-N-acetyltryptamine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 73-31-4
  • DRUGBANK : DB01065
  • PUBCHEM:
  • HMDB : HMDB01389
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC16796



"N-[2-(5-methoxyindol-3-yl)ethyl]acetamide" cannot be used as a page name in this wiki.
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