Difference between revisions of "1-O-SINAPOYL-BETA-D-GLUCOSE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9700 CPD-9700] == * smiles: ** C=C1(C(CC(C(=O)[O-])NC(CCC([N+])C([O-])=O)=O)C1) * inchi key...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-O-SINAPOYL-BETA-D-GLUCOSE 1-O-SINAPOYL-BETA-D-GLUCOSE] == * smiles: ** COC2(=CC(C=CC(=O)OC1(C...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9700 CPD-9700] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-O-SINAPOYL-BETA-D-GLUCOSE 1-O-SINAPOYL-BETA-D-GLUCOSE] ==
 
* smiles:
 
* smiles:
** C=C1(C(CC(C(=O)[O-])NC(CCC([N+])C([O-])=O)=O)C1)
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** COC2(=CC(C=CC(=O)OC1(C(O)C(C(C(O1)CO)O)O))=CC(=C(O)2)OC)
* inchi key:
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** InChIKey=UYDZYCPIQSRXKU-NPPUSCPJSA-M
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* common name:
 
* common name:
** hypoglycin B
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** 1-O-sinapoyl-β-D-glucose
 +
* inchi key:
 +
** InChIKey=XRKBRPFTFKKHEF-DGDBGZAXSA-N
 
* molecular weight:
 
* molecular weight:
** 269.277    
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** 386.355    
 
* Synonym(s):
 
* Synonym(s):
** hypoglycine B
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** 1-O-sinapoyl β-D-glucoside
** L-gamma-glutamyl-L-hypoglycin
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** γ-glutamyl-β-(methylenecyclopropyl)-alanine
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** (2S)-2-amino-5-[[(2S)-1-hydroxy-3-[(1S)-2-methylidenecyclopropyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[2.3.1.91-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-9157]]
 
 
== 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=90658135 90658135]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280406 5280406]
* Wikipedia : Hypoglycin_B
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* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.4444086.html 4444086]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16546 16546]
 +
* METABOLIGHTS : MTBLC16546
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C08280 C08280]
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** [http://www.genome.jp/dbget-bin/www_bget?C01175 C01175]
* HMDB : HMDB29428
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{{#set: smiles=COC2(=CC(C=CC(=O)OC1(C(O)C(C(C(O1)CO)O)O))=CC(=C(O)2)OC)}}
{{#set: smiles=C=C1(C(CC(C(=O)[O-])NC(CCC([N+])C([O-])=O)=O)C1)}}
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{{#set: common name=1-O-sinapoyl-β-D-glucose}}
{{#set: inchi key=InChIKey=UYDZYCPIQSRXKU-NPPUSCPJSA-M}}
+
{{#set: inchi key=InChIKey=XRKBRPFTFKKHEF-DGDBGZAXSA-N}}
{{#set: common name=hypoglycin B}}
+
{{#set: molecular weight=386.355   }}
{{#set: molecular weight=269.277   }}
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{{#set: common name=1-O-sinapoyl β-D-glucoside}}
{{#set: common name=hypoglycine B|L-gamma-glutamyl-L-hypoglycin|γ-glutamyl-β-(methylenecyclopropyl)-alanine|(2S)-2-amino-5-[[(2S)-1-hydroxy-3-[(1S)-2-methylidenecyclopropyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid}}
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{{#set: consumed by=2.3.1.91-RXN}}
{{#set: produced by=RXN-9157}}
+

Latest revision as of 20:24, 21 March 2018

Metabolite 1-O-SINAPOYL-BETA-D-GLUCOSE

  • smiles:
    • COC2(=CC(C=CC(=O)OC1(C(O)C(C(C(O1)CO)O)O))=CC(=C(O)2)OC)
  • common name:
    • 1-O-sinapoyl-β-D-glucose
  • inchi key:
    • InChIKey=XRKBRPFTFKKHEF-DGDBGZAXSA-N
  • molecular weight:
    • 386.355
  • Synonym(s):
    • 1-O-sinapoyl β-D-glucoside

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links