Difference between revisions of "CPD-14596"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETYL-GLU ACETYL-GLU] == * smiles: ** CC(=O)NC(C([O-])=O)CCC(=O)[O-] * common name: ** N-acety...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14596 CPD-14596] == * smiles: ** CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETYL-GLU ACETYL-GLU] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14596 CPD-14596] ==
 
* smiles:
 
* smiles:
−
** CC(=O)NC(C([O-])=O)CCC(=O)[O-]
+
** CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C
 
* common name:
 
* common name:
−
** N-acetyl-L-glutamate
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** neolinustatin
 
* inchi key:
 
* inchi key:
−
** InChIKey=RFMMMVDNIPUKGG-YFKPBYRVSA-L
+
** InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N
 
* molecular weight:
 
* molecular weight:
−
** 187.152    
+
** 423.416    
 
* Synonym(s):
 
* Synonym(s):
−
** N-acetyl-L-glutamic acid
+
** butanenitrile
−
** acetyl-L-glu
+
** [(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)]
−
** acetyl-L-glutamate
+
−
** NAG
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[AGK]]
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* [[RXN-13603]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[GLUTAMATE-N-ACETYLTRANSFERASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[N-ACETYLTRANSFER-RXN]]
 
−
* [[ACETYLGLUTKIN-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 1188-37-0
 
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* BIGG : acglu
 
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* PUBCHEM:
 
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1549099 1549099]
 
−
* HMDB : HMDB01138
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00624 C00624]
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** [http://www.genome.jp/dbget-bin/www_bget?C08336 C08336]
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* CHEMSPIDER:
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* HMDB : HMDB38482
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** [http://www.chemspider.com/Chemical-Structure.1266066.html 1266066]
+
 
* CHEBI:
 
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=44337 44337]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=7506 7506]
−
* METABOLIGHTS : MTBLC44337
+
* PUBCHEM:
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{{#set: smiles=CC(=O)NC(C([O-])=O)CCC(=O)[O-]}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=119533 119533]
−
{{#set: common name=N-acetyl-L-glutamate}}
+
{{#set: smiles=CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C}}
−
{{#set: inchi key=InChIKey=RFMMMVDNIPUKGG-YFKPBYRVSA-L}}
+
{{#set: common name=neolinustatin}}
−
{{#set: molecular weight=187.152   }}
+
{{#set: inchi key=InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N}}
−
{{#set: common name=N-acetyl-L-glutamic acid|acetyl-L-glu|acetyl-L-glutamate|NAG}}
+
{{#set: molecular weight=423.416   }}
−
{{#set: consumed by=AGK}}
+
{{#set: common name=butanenitrile|[(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)]}}
−
{{#set: produced by=GLUTAMATE-N-ACETYLTRANSFERASE-RXN}}
+
{{#set: consumed by=RXN-13603}}
−
{{#set: reversible reaction associated=N-ACETYLTRANSFER-RXN|ACETYLGLUTKIN-RXN}}
+

Latest revision as of 21:22, 21 March 2018

Metabolite CPD-14596

  • smiles:
    • CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C
  • common name:
    • neolinustatin
  • inchi key:
    • InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N
  • molecular weight:
    • 423.416
  • Synonym(s):
    • butanenitrile
    • [(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)]

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-14596&oldid=48248"