Difference between revisions of "Tiso gene 1404"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4568 CPD-4568] == * smiles: ** CC(C)=CCCC([CH]1(C2(C)(C(CO)(CC1)C4(=C(CC2)C3([CH](C(C)(C)C(...")
(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...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4568 CPD-4568] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-O-SINAPOYL-BETA-D-GLUCOSE 1-O-SINAPOYL-BETA-D-GLUCOSE] ==
 
* smiles:
 
* smiles:
−
** CC(C)=CCCC([CH]1(C2(C)(C(CO)(CC1)C4(=C(CC2)C3([CH](C(C)(C)C(O)CC3)CC4)(C)))))C
+
** COC2(=CC(C=CC(=O)OC1(C(O)C(C(C(O1)CO)O)O))=CC(=C(O)2)OC)
 
* inchi key:
 
* inchi key:
−
** InChIKey=DWVYYKFZEDMMPU-PUXRVUTHSA-N
+
** InChIKey=XRKBRPFTFKKHEF-DGDBGZAXSA-N
 
* common name:
 
* common name:
−
** 14-hydroxylanosterol
+
** 1-O-sinapoyl-β-D-glucose
 
* molecular weight:
 
* molecular weight:
−
** 442.724    
+
** 386.355    
 
* Synonym(s):
 
* Synonym(s):
−
** 4,4-dimethyl-14α-hydroxymethyl-5α-cholesta-8,24-dien-3β-ol
+
** 1-O-sinapoyl β-D-glucoside
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN66-304]]
+
* [[2.3.1.91-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN66-303]]
 
 
== 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=22298935 22298935]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280406 5280406]
−
{{#set: smiles=CC(C)=CCCC([CH]1(C2(C)(C(CO)(CC1)C4(=C(CC2)C3([CH](C(C)(C)C(O)CC3)CC4)(C)))))C}}
+
* CHEMSPIDER:
−
{{#set: inchi key=InChIKey=DWVYYKFZEDMMPU-PUXRVUTHSA-N}}
+
** [http://www.chemspider.com/Chemical-Structure.4444086.html 4444086]
−
{{#set: common name=14-hydroxylanosterol}}
+
* CHEBI:
−
{{#set: molecular weight=442.724   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16546 16546]
−
{{#set: common name=4,4-dimethyl-14α-hydroxymethyl-5α-cholesta-8,24-dien-3β-ol}}
+
* METABOLIGHTS : MTBLC16546
−
{{#set: consumed by=RXN66-304}}
+
* LIGAND-CPD:
−
{{#set: produced by=RXN66-303}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C01175 C01175]
 +
{{#set: smiles=COC2(=CC(C=CC(=O)OC1(C(O)C(C(C(O1)CO)O)O))=CC(=C(O)2)OC)}}
 +
{{#set: inchi key=InChIKey=XRKBRPFTFKKHEF-DGDBGZAXSA-N}}
 +
{{#set: common name=1-O-sinapoyl-β-D-glucose}}
 +
{{#set: molecular weight=386.355   }}
 +
{{#set: common name=1-O-sinapoyl β-D-glucoside}}
 +
{{#set: consumed by=2.3.1.91-RXN}}

Revision as of 20:00, 18 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)
  • inchi key:
    • InChIKey=XRKBRPFTFKKHEF-DGDBGZAXSA-N
  • common name:
    • 1-O-sinapoyl-β-D-glucose
  • 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




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