Difference between revisions of "PWY-5268"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-101 CPD-101] == * smiles: ** C1(OCCCCC1)=O * inchi key: ** InChIKey=PAPBSGBWRJIAAV-UHFFFAOY...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHENYLETHYLAMINE PHENYLETHYLAMINE] == * smiles: ** C([N+])CC1(=CC=CC=C1) * inchi key: ** InChIK...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-101 CPD-101] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHENYLETHYLAMINE PHENYLETHYLAMINE] ==
 
* smiles:
 
* smiles:
** C1(OCCCCC1)=O
+
** C([N+])CC1(=CC=CC=C1)
 
* inchi key:
 
* inchi key:
** InChIKey=PAPBSGBWRJIAAV-UHFFFAOYSA-N
+
** InChIKey=BHHGXPLMPWCGHP-UHFFFAOYSA-O
 
* common name:
 
* common name:
** ε-caprolactone
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** 2-phenylethylamine
 
* molecular weight:
 
* molecular weight:
** 114.144    
+
** 122.189    
 
* Synonym(s):
 
* Synonym(s):
** 1-oxa-2-oxocycloheptane
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** β-phenylethylamine
** 6-hexanolide
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** phenylethylamine
** hexano-6-lactone
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** phenethylamine
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[AMINEPHEN-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[CYCLOHEXANONE-MONOOXYGENASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 502-44-3
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* CAS : 64-04-0
 +
* METABOLIGHTS : MTBLC225237
 +
* DRUGBANK : DB04325
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=10401 10401]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=448751 448751]
* HMDB : HMDB60476
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* HMDB : HMDB12275
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C01880 C01880]
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** [http://www.genome.jp/dbget-bin/www_bget?C05332 C05332]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.9972.html 9972]
+
** [http://www.chemspider.com/Chemical-Structure.395457.html 395457]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17915 17915]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=225237 225237]
{{#set: smiles=C1(OCCCCC1)=O}}
+
* BIGG : peamn
{{#set: inchi key=InChIKey=PAPBSGBWRJIAAV-UHFFFAOYSA-N}}
+
{{#set: smiles=C([N+])CC1(=CC=CC=C1)}}
{{#set: common name=ε-caprolactone}}
+
{{#set: inchi key=InChIKey=BHHGXPLMPWCGHP-UHFFFAOYSA-O}}
{{#set: molecular weight=114.144   }}
+
{{#set: common name=2-phenylethylamine}}
{{#set: common name=1-oxa-2-oxocycloheptane|6-hexanolide|hexano-6-lactone}}
+
{{#set: molecular weight=122.189   }}
{{#set: produced by=CYCLOHEXANONE-MONOOXYGENASE-RXN}}
+
{{#set: common name=β-phenylethylamine|phenylethylamine|phenethylamine}}
 +
{{#set: consumed by=AMINEPHEN-RXN}}

Revision as of 18:28, 18 March 2018

Metabolite PHENYLETHYLAMINE

  • smiles:
    • C([N+])CC1(=CC=CC=C1)
  • inchi key:
    • InChIKey=BHHGXPLMPWCGHP-UHFFFAOYSA-O
  • common name:
    • 2-phenylethylamine
  • molecular weight:
    • 122.189
  • Synonym(s):
    • β-phenylethylamine
    • phenylethylamine
    • phenethylamine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 64-04-0
  • METABOLIGHTS : MTBLC225237
  • DRUGBANK : DB04325
  • PUBCHEM:
  • HMDB : HMDB12275
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : peamn
"C([N+])CC1(=CC=CC=C1)" cannot be used as a page name in this wiki.