Difference between revisions of "Tiso gene 16426"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-786 CPD-786] == * smiles: ** C(CCC=CC(C([O-])=O)=O)([O-])=O * inchi key: ** InChIKey=HYVSZV...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LEUCOPELARGONIDIN-CMPD LEUCOPELARGONIDIN-CMPD] == * smiles: ** C3(C(C2(OC1(=CC(=CC(=C1C(C2O)O)O...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-786 CPD-786] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LEUCOPELARGONIDIN-CMPD LEUCOPELARGONIDIN-CMPD] ==
 
* smiles:
 
* smiles:
−
** C(CCC=CC(C([O-])=O)=O)([O-])=O
+
** C3(C(C2(OC1(=CC(=CC(=C1C(C2O)O)O)O)))=CC=C(C=3)O)
 
* inchi key:
 
* inchi key:
−
** InChIKey=HYVSZVZMTYIHKF-IWQZZHSRSA-L
+
** InChIKey=FSVMLWOLZHGCQX-SOUVJXGZSA-N
 
* common name:
 
* common name:
−
** (4Z)-2-oxohept-4-enedioate
+
** (2R,3S,4S)-leucopelargonidin
 
* molecular weight:
 
* molecular weight:
−
** 170.121    
+
** 290.272    
 
* Synonym(s):
 
* Synonym(s):
−
** OHED
+
** cis-3,4-leucopelargonidin
−
** 2-oxo-hept-3-ene-1,7-dioate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[LEUCPEL-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN1K-87]]
+
* [[DIHYDROKAEMPFEROL-4-REDUCTASE-RXN]]
 
== 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=9543150 9543150]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3286789 3286789]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.4573699.html 4573699]
+
** [http://www.chemspider.com/Chemical-Structure.2535665.html 2535665]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17205 17205]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17343 17343]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C03063 C03063]
+
** [http://www.genome.jp/dbget-bin/www_bget?C03648 C03648]
−
{{#set: smiles=C(CCC=CC(C([O-])=O)=O)([O-])=O}}
+
* HMDB : HMDB32322
−
{{#set: inchi key=InChIKey=HYVSZVZMTYIHKF-IWQZZHSRSA-L}}
+
{{#set: smiles=C3(C(C2(OC1(=CC(=CC(=C1C(C2O)O)O)O)))=CC=C(C=3)O)}}
−
{{#set: common name=(4Z)-2-oxohept-4-enedioate}}
+
{{#set: inchi key=InChIKey=FSVMLWOLZHGCQX-SOUVJXGZSA-N}}
−
{{#set: molecular weight=170.121   }}
+
{{#set: common name=(2R,3S,4S)-leucopelargonidin}}
−
{{#set: common name=OHED|2-oxo-hept-3-ene-1,7-dioate}}
+
{{#set: molecular weight=290.272   }}
−
{{#set: produced by=RXN1K-87}}
+
{{#set: common name=cis-3,4-leucopelargonidin}}
 +
{{#set: consumed by=LEUCPEL-RXN}}
 +
{{#set: produced by=DIHYDROKAEMPFEROL-4-REDUCTASE-RXN}}

Revision as of 16:37, 10 January 2018

Metabolite LEUCOPELARGONIDIN-CMPD

  • smiles:
    • C3(C(C2(OC1(=CC(=CC(=C1C(C2O)O)O)O)))=CC=C(C=3)O)
  • inchi key:
    • InChIKey=FSVMLWOLZHGCQX-SOUVJXGZSA-N
  • common name:
    • (2R,3S,4S)-leucopelargonidin
  • molecular weight:
    • 290.272
  • Synonym(s):
    • cis-3,4-leucopelargonidin

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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