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

From metabolic_network
Jump to: navigation, search
(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)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9700 CPD-9700] ==
+
== 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)
+
** COC2(=CC(C=CC(=O)OC1(C(O)C(C(C(O1)CO)O)O))=CC(=C(O)2)OC)
−
* inchi key:
+
−
** InChIKey=UYDZYCPIQSRXKU-NPPUSCPJSA-M
+
 
* common name:
 
* common name:
−
** hypoglycin B
+
** 1-O-sinapoyl-β-D-glucose
 +
* inchi key:
 +
** InChIKey=XRKBRPFTFKKHEF-DGDBGZAXSA-N
 
* molecular weight:
 
* molecular weight:
−
** 269.277    
+
** 386.355    
 
* Synonym(s):
 
* Synonym(s):
−
** hypoglycine B
+
** 1-O-sinapoyl β-D-glucoside
−
** 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
+
  
 
== 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]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280406 5280406]
−
* Wikipedia : Hypoglycin_B
+
* 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]
+
** [http://www.genome.jp/dbget-bin/www_bget?C01175 C01175]
−
* HMDB : HMDB29428
+
{{#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)}}
+
{{#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   }}
+
{{#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}}
+
{{#set: consumed by=2.3.1.91-RXN}}
−
{{#set: produced by=RXN-9157}}
+

Latest revision as of 21:24, 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




Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=1-O-SINAPOYL-BETA-D-GLUCOSE&oldid=48465"