Difference between revisions of "RXN-11245"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=XANTHOSINE XANTHOSINE] == * smiles: ** C(O)C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(=O)NC=23))) * inchi...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LUTEOLIN-7-O-BETA-D-DIGLUCURONIDE LUTEOLIN-7-O-BETA-D-DIGLUCURONIDE] == * smiles: ** C(C5(OC(OC...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=XANTHOSINE XANTHOSINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LUTEOLIN-7-O-BETA-D-DIGLUCURONIDE LUTEOLIN-7-O-BETA-D-DIGLUCURONIDE] ==
 
* smiles:
 
* smiles:
−
** C(O)C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(=O)NC=23)))
+
** C(C5(OC(OC1(C(C(C(C([O-])=O)OC1OC4(C=C3(C(C(C=C(C2(=CC=C(C(=C2)O)O))O3)=O)=C(C=4)O)))O)O))C(C(C5O)O)O))([O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=UBORTCNDUKBEOP-UUOKFMHZSA-N
+
** InChIKey=PBBVWJQPAZYQDB-DBFWEQBMSA-L
 
* common name:
 
* common name:
−
** xanthosine
+
** luteolin 7-O-β-D-diglucuronide
 
* molecular weight:
 
* molecular weight:
−
** 284.228    
+
** 636.476    
 
* Synonym(s):
 
* Synonym(s):
−
** 9 β-D-ribofuranosylxanthine
+
** luteolin 7-O-[β-D-glucosyluronate-(1->2)-β-D-glucuronide]
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-15288]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[XMPXAN-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 146-80-5
 
−
* BIGG : 38352
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=64959 64959]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46878427 46878427]
−
* HMDB : HMDB00299
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C01762 C01762]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.1152.html 1152]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18107 18107]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57815 57815]
−
* METABOLIGHTS : MTBLC18107
+
* LIGAND-CPD:
−
{{#set: smiles=C(O)C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(=O)NC=23)))}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C12632 C12632]
−
{{#set: inchi key=InChIKey=UBORTCNDUKBEOP-UUOKFMHZSA-N}}
+
* HMDB : HMDB60297
−
{{#set: common name=xanthosine}}
+
{{#set: smiles=C(C5(OC(OC1(C(C(C(C([O-])=O)OC1OC4(C=C3(C(C(C=C(C2(=CC=C(C(=C2)O)O))O3)=O)=C(C=4)O)))O)O))C(C(C5O)O)O))([O-])=O}}
−
{{#set: molecular weight=284.228   }}
+
{{#set: inchi key=InChIKey=PBBVWJQPAZYQDB-DBFWEQBMSA-L}}
−
{{#set: common name=9 β-D-ribofuranosylxanthine}}
+
{{#set: common name=luteolin 7-O-β-D-diglucuronide}}
−
{{#set: produced by=XMPXAN-RXN}}
+
{{#set: molecular weight=636.476   }}
 +
{{#set: common name=luteolin 7-O-[β-D-glucosyluronate-(1->2)-β-D-glucuronide]}}
 +
{{#set: consumed by=RXN-15288}}

Revision as of 20:24, 17 March 2018

Metabolite LUTEOLIN-7-O-BETA-D-DIGLUCURONIDE

  • smiles:
    • C(C5(OC(OC1(C(C(C(C([O-])=O)OC1OC4(C=C3(C(C(C=C(C2(=CC=C(C(=C2)O)O))O3)=O)=C(C=4)O)))O)O))C(C(C5O)O)O))([O-])=O
  • inchi key:
    • InChIKey=PBBVWJQPAZYQDB-DBFWEQBMSA-L
  • common name:
    • luteolin 7-O-β-D-diglucuronide
  • molecular weight:
    • 636.476
  • Synonym(s):
    • luteolin 7-O-[β-D-glucosyluronate-(1->2)-β-D-glucuronide]

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(C5(OC(OC1(C(C(C(C([O-])=O)OC1OC4(C=C3(C(C(C=C(C2(=CC=C(C(=C2)O)O))O3)=O)=C(C=4)O)))O)O))C(C(C5O)O)O))([O-])=O" cannot be used as a page name in this wiki.


"luteolin 7-O-[β-D-glucosyluronate-(1->2)-β-D-glucuronide" cannot be used as a page name in this wiki.
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