Difference between revisions of "PWYQT-4429"

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(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...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11674 CPD-11674] == * smiles: ** C(O)CC1(=CNC2(=C1C=C(OS(=O)(=O)[O-])C=C2)) * inchi key: **...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHENYLETHYLAMINE PHENYLETHYLAMINE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11674 CPD-11674] ==
 
* smiles:
 
* smiles:
** C([N+])CC1(=CC=CC=C1)
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** C(O)CC1(=CNC2(=C1C=C(OS(=O)(=O)[O-])C=C2))
 
* inchi key:
 
* inchi key:
** InChIKey=BHHGXPLMPWCGHP-UHFFFAOYSA-O
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** InChIKey=FOCUAJYUOXSNDS-UHFFFAOYSA-M
 
* common name:
 
* common name:
** 2-phenylethylamine
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** 5-hydroxytryptophol sulfate
 
* molecular weight:
 
* molecular weight:
** 122.189    
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** 256.253    
 
* Synonym(s):
 
* Synonym(s):
** β-phenylethylamine
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** 5-hydroxytryptophol sulphate
** phenylethylamine
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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 ==
 +
* [[RXN-10782]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 64-04-0
 
* BIGG : 45591
 
* DRUGBANK : DB04325
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=448751 448751]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44237265 44237265]
* HMDB : HMDB12275
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{{#set: smiles=C(O)CC1(=CNC2(=C1C=C(OS(=O)(=O)[O-])C=C2))}}
* LIGAND-CPD:
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{{#set: inchi key=InChIKey=FOCUAJYUOXSNDS-UHFFFAOYSA-M}}
** [http://www.genome.jp/dbget-bin/www_bget?C05332 C05332]
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{{#set: common name=5-hydroxytryptophol sulfate}}
* CHEMSPIDER:
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{{#set: molecular weight=256.253   }}
** [http://www.chemspider.com/Chemical-Structure.395457.html 395457]
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{{#set: common name=5-hydroxytryptophol sulphate}}
* CHEBI:
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{{#set: produced by=RXN-10782}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=225237 225237]
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* METABOLIGHTS : MTBLC225237
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{{#set: smiles=C([N+])CC1(=CC=CC=C1)}}
+
{{#set: inchi key=InChIKey=BHHGXPLMPWCGHP-UHFFFAOYSA-O}}
+
{{#set: common name=2-phenylethylamine}}
+
{{#set: molecular weight=122.189   }}
+
{{#set: common name=β-phenylethylamine|phenylethylamine|phenethylamine}}
+
{{#set: consumed by=AMINEPHEN-RXN}}
+

Revision as of 21:11, 17 March 2018

Metabolite CPD-11674

  • smiles:
    • C(O)CC1(=CNC2(=C1C=C(OS(=O)(=O)[O-])C=C2))
  • inchi key:
    • InChIKey=FOCUAJYUOXSNDS-UHFFFAOYSA-M
  • common name:
    • 5-hydroxytryptophol sulfate
  • molecular weight:
    • 256.253
  • Synonym(s):
    • 5-hydroxytryptophol sulphate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(O)CC1(=CNC2(=C1C=C(OS(=O)(=O)[O-])C=C2))" cannot be used as a page name in this wiki.