Difference between revisions of "Tiso gene 4740"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DIETHYLPHOSPHATE DIETHYLPHOSPHATE] == * smiles: ** CCOP(=O)([O-])OCC * inchi key: ** InChIKey=U...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PELARGONIDIN-3-GLUCOSIDE-CMPD PELARGONIDIN-3-GLUCOSIDE-CMPD] == * smiles: ** C(O)C1(C(O)C(O)C(O...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DIETHYLPHOSPHATE DIETHYLPHOSPHATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PELARGONIDIN-3-GLUCOSIDE-CMPD PELARGONIDIN-3-GLUCOSIDE-CMPD] ==
 
* smiles:
 
* smiles:
−
** CCOP(=O)([O-])OCC
+
** C(O)C1(C(O)C(O)C(O)C(O1)OC3(=CC4(=C([O+]=C(C2(=CC=C(O)C=C2))3)C=C(C=C([O-])4)[O-])))
−
* inchi key:
+
−
** InChIKey=UCQFCFPECQILOL-UHFFFAOYSA-M
+
 
* common name:
 
* common name:
−
** diethylphosphate
+
** pelargonidin-3-O-β-D-glucoside
 +
* inchi key:
 +
** InChIKey=ABVCUBUIXWJYSE-GQUPQBGVSA-M
 
* molecular weight:
 
* molecular weight:
−
** 153.094    
+
** 431.375    
 
* Synonym(s):
 
* Synonym(s):
−
** Diethylphosphoric acid
+
** callistephin
−
** O,O-diethylphosphoric acid
+
** 3-(β-D-glucopyranosyloxy)-55,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride
−
** phosphoric acid, diethyl ester
+
−
** diethyl hydrogen phosphate
+
−
** diethyl phosphoric acid
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-7828]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-8746]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 598-02-7
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5166299 5166299]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=102515300 102515300]
−
* CHEMSPIDER:
+
* CHEBI:
−
** [http://www.chemspider.com/Chemical-Structure.4338966.html 4338966]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=31967 31967]
 +
* METABOLIGHTS : MTBLC31967
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C06608 C06608]
+
** [http://www.genome.jp/dbget-bin/www_bget?C12137 C12137]
−
* HMDB : HMDB12209
+
{{#set: smiles=C(O)C1(C(O)C(O)C(O)C(O1)OC3(=CC4(=C([O+]=C(C2(=CC=C(O)C=C2))3)C=C(C=C([O-])4)[O-])))}}
−
{{#set: smiles=CCOP(=O)([O-])OCC}}
+
{{#set: common name=pelargonidin-3-O-β-D-glucoside}}
−
{{#set: inchi key=InChIKey=UCQFCFPECQILOL-UHFFFAOYSA-M}}
+
{{#set: inchi key=InChIKey=ABVCUBUIXWJYSE-GQUPQBGVSA-M}}
−
{{#set: common name=diethylphosphate}}
+
{{#set: molecular weight=431.375   }}
−
{{#set: molecular weight=153.094   }}
+
{{#set: common name=callistephin|3-(β-D-glucopyranosyloxy)-55,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride}}
−
{{#set: common name=Diethylphosphoric acid|O,O-diethylphosphoric acid|phosphoric acid, diethyl ester|diethyl hydrogen phosphate|diethyl phosphoric acid}}
+
{{#set: consumed by=RXN-7828}}
−
{{#set: produced by=RXN-8746}}
+

Revision as of 16:43, 21 March 2018

Metabolite PELARGONIDIN-3-GLUCOSIDE-CMPD

  • smiles:
    • C(O)C1(C(O)C(O)C(O)C(O1)OC3(=CC4(=C([O+]=C(C2(=CC=C(O)C=C2))3)C=C(C=C([O-])4)[O-])))
  • common name:
    • pelargonidin-3-O-β-D-glucoside
  • inchi key:
    • InChIKey=ABVCUBUIXWJYSE-GQUPQBGVSA-M
  • molecular weight:
    • 431.375
  • Synonym(s):
    • callistephin
    • 3-(β-D-glucopyranosyloxy)-55,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(O)C1(C(O)C(O)C(O)C(O1)OC3(=CC4(=C([O+]=C(C2(=CC=C(O)C=C2))3)C=C(C=C([O-])4)[O-])))" cannot be used as a page name in this wiki.



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