Difference between revisions of "RXN-14201"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11671 CPD-11671] == * smiles: ** C(O)CC1(=CNC2(=C1C=C(O)C=C2)) * inchi key: ** InChIKey=KQR...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-35 CPD-35] == * smiles: ** CC(=O)NCCCC(=O)[O-] * common name: ** 4-acetamidobutanoate * inc...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11671 CPD-11671] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-35 CPD-35] ==
 
* smiles:
 
* smiles:
** C(O)CC1(=CNC2(=C1C=C(O)C=C2))
+
** CC(=O)NCCCC(=O)[O-]
* inchi key:
+
** InChIKey=KQROHCSYOGBQGJ-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
** 5-hydroxytryptophol
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** 4-acetamidobutanoate
 +
* inchi key:
 +
** InChIKey=UZTFMUBKZQVKLK-UHFFFAOYSA-M
 
* molecular weight:
 
* molecular weight:
** 177.202    
+
** 144.15    
 
* Synonym(s):
 
* Synonym(s):
** hydroxytryptophol
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** N-acetyl-4-aminobutyrate
** 5-hydroxyindole-3-ethanol
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** N-acetyl-γ-aminobutyrate
** 5-hydroxy-1H-indole-3-ethanol
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** 1H-indole-3-ethanol, 5-hydroxy-
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** indole-3-ethanol, 5-hydroxy-
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-10784]]
 
* [[RXN-10782]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-10781]]
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* [[RXN-37]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9061 9061]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6991994 6991994]
 +
* HMDB : HMDB03681
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C02946 C02946]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.8708.html 8708]
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** [http://www.chemspider.com/Chemical-Structure.5360158.html 5360158]
* HMDB : HMDB01855
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* CHEBI:
{{#set: smiles=C(O)CC1(=CNC2(=C1C=C(O)C=C2))}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=11951 11951]
{{#set: inchi key=InChIKey=KQROHCSYOGBQGJ-UHFFFAOYSA-N}}
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* METABOLIGHTS : MTBLC11951
{{#set: common name=5-hydroxytryptophol}}
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{{#set: smiles=CC(=O)NCCCC(=O)[O-]}}
{{#set: molecular weight=177.202   }}
+
{{#set: common name=4-acetamidobutanoate}}
{{#set: common name=hydroxytryptophol|5-hydroxyindole-3-ethanol|5-hydroxy-1H-indole-3-ethanol|1H-indole-3-ethanol, 5-hydroxy-|indole-3-ethanol, 5-hydroxy-}}
+
{{#set: inchi key=InChIKey=UZTFMUBKZQVKLK-UHFFFAOYSA-M}}
{{#set: consumed by=RXN-10784|RXN-10782}}
+
{{#set: molecular weight=144.15   }}
{{#set: produced by=RXN-10781}}
+
{{#set: common name=N-acetyl-4-aminobutyrate|N-acetyl-γ-aminobutyrate}}
 +
{{#set: produced by=RXN-37}}

Revision as of 15:48, 21 March 2018

Metabolite CPD-35

  • smiles:
    • CC(=O)NCCCC(=O)[O-]
  • common name:
    • 4-acetamidobutanoate
  • inchi key:
    • InChIKey=UZTFMUBKZQVKLK-UHFFFAOYSA-M
  • molecular weight:
    • 144.15
  • Synonym(s):
    • N-acetyl-4-aminobutyrate
    • N-acetyl-γ-aminobutyrate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(=O)NCCCC(=O)[O-" cannot be used as a page name in this wiki.