Difference between revisions of "LUTEOLIN-7-O-BETA-D-DIGLUCURONIDE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-661 CPD-661] == * smiles: ** C#CC([O-])=O * inchi key: ** InChIKey=UORVCLMRJXCDCP-UHFFFAOYS...")
 
 
(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-661 CPD-661] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LUTEOLIN-7-O-BETA-D-DIGLUCURONIDE LUTEOLIN-7-O-BETA-D-DIGLUCURONIDE] ==
 
* smiles:
 
* smiles:
−
** C#CC([O-])=O
+
** 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
 +
* molecular weight:
 +
** 636.476   
 
* inchi key:
 
* inchi key:
−
** InChIKey=UORVCLMRJXCDCP-UHFFFAOYSA-M
+
** InChIKey=PBBVWJQPAZYQDB-DBFWEQBMSA-L
 
* common name:
 
* common name:
−
** propynoate
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** luteolin 7-O-β-D-diglucuronide
−
* molecular weight:
+
−
** 69.04   
+
 
* Synonym(s):
 
* Synonym(s):
−
** acetylene monocarboxylic acid
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** luteolin 7-O-[β-D-glucosyluronate-(1->2)-β-D-glucuronide]
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** Propiolic acid
+
−
** Acetylenecarboxylic acid
+
−
** Acetylenemonocarboxylate
+
  
 
== 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 ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-14224]]
 
 
== External links  ==
 
== External links  ==
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* CAS : 471-25-0
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* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57815 57815]
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459765 5459765]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46878427 46878427]
−
* HMDB : HMDB06804
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00804 C00804]
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** [http://www.genome.jp/dbget-bin/www_bget?C12632 C12632]
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* CHEMSPIDER:
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* HMDB : HMDB60297
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** [http://www.chemspider.com/Chemical-Structure.4573549.html 4573549]
+
{{#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}}
−
* CHEBI:
+
{{#set: molecular weight=636.476    }}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15364 15364]
+
{{#set: inchi key=InChIKey=PBBVWJQPAZYQDB-DBFWEQBMSA-L}}
−
* METABOLIGHTS : MTBLC15364
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{{#set: common name=luteolin 7-O-β-D-diglucuronide}}
−
{{#set: smiles=C#CC([O-])=O}}
+
{{#set: common name=luteolin 7-O-[β-D-glucosyluronate-(1->2)-β-D-glucuronide]}}
−
{{#set: inchi key=InChIKey=UORVCLMRJXCDCP-UHFFFAOYSA-M}}
+
{{#set: consumed by=RXN-15288}}
−
{{#set: common name=propynoate}}
+
−
{{#set: molecular weight=69.04    }}
+
−
{{#set: common name=acetylene monocarboxylic acid|Propiolic acid|Acetylenecarboxylic acid|Acetylenemonocarboxylate}}
+
−
{{#set: consumed or produced by=RXN-14224}}
+

Latest revision as of 15:01, 9 January 2019

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
  • molecular weight:
    • 636.476
  • inchi key:
    • InChIKey=PBBVWJQPAZYQDB-DBFWEQBMSA-L
  • common name:
    • luteolin 7-O-β-D-diglucuronide
  • 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.
Retrieved from "http://gem-aureme.irisa.fr/ccrgem/index.php?title=LUTEOLIN-7-O-BETA-D-DIGLUCURONIDE&oldid=19716"