Difference between revisions of "CPD-7137"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OXOADIPATE-ENOL-LACTONE 3-OXOADIPATE-ENOL-LACTONE] == * smiles: ** C(=O)(CC1(=CCC(=O)O1))[O-]...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7137 CPD-7137] == * smiles: ** C(O)C5(C(C(C(C(OC3(=CC([O-])=CC2([O+]=C(C1(=CC=C(O)C=C1))C(=...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OXOADIPATE-ENOL-LACTONE 3-OXOADIPATE-ENOL-LACTONE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7137 CPD-7137] ==
 
* smiles:
 
* smiles:
−
** C(=O)(CC1(=CCC(=O)O1))[O-]
+
** C(O)C5(C(C(C(C(OC3(=CC([O-])=CC2([O+]=C(C1(=CC=C(O)C=C1))C(=CC=23)OC4(C(O)C(O)C(O)C(CO)O4))))O5)O)O)O)
−
* inchi key:
+
−
** InChIKey=ZPEHSARSWGDCEX-UHFFFAOYSA-M
+
 
* common name:
 
* common name:
−
** (4,5-dihydro-5-oxofuran-2-yl)-acetate
+
** pelargonidin-3,5-di-O-β-D-glucoside
 +
* inchi key:
 +
** InChIKey=SLCKJKWFULXZBD-ZOTFFYTFSA-N
 
* molecular weight:
 
* molecular weight:
−
** 141.103    
+
** 594.525    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-oxoadipate enol lactone
 
−
** β-ketoadipate-enol-lactone
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[3-OXOADIPATE-ENOL-LACTONASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-7828]]
 
== 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=23615198 23615198]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=167643 167643]
−
* CHEMSPIDER:
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* HMDB : HMDB33681
−
** [http://www.chemspider.com/Chemical-Structure.19951100.html 19951100]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58425 58425]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57503 57503]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C03586 C03586]
+
** [http://www.genome.jp/dbget-bin/www_bget?C08725 C08725]
−
{{#set: smiles=C(=O)(CC1(=CCC(=O)O1))[O-]}}
+
{{#set: smiles=C(O)C5(C(C(C(C(OC3(=CC([O-])=CC2([O+]=C(C1(=CC=C(O)C=C1))C(=CC=23)OC4(C(O)C(O)C(O)C(CO)O4))))O5)O)O)O)}}
−
{{#set: inchi key=InChIKey=ZPEHSARSWGDCEX-UHFFFAOYSA-M}}
+
{{#set: common name=pelargonidin-3,5-di-O-β-D-glucoside}}
−
{{#set: common name=(4,5-dihydro-5-oxofuran-2-yl)-acetate}}
+
{{#set: inchi key=InChIKey=SLCKJKWFULXZBD-ZOTFFYTFSA-N}}
−
{{#set: molecular weight=141.103    }}
+
{{#set: molecular weight=594.525    }}
−
{{#set: common name=3-oxoadipate enol lactone|β-ketoadipate-enol-lactone}}
+
{{#set: produced by=RXN-7828}}
−
{{#set: consumed by=3-OXOADIPATE-ENOL-LACTONASE-RXN}}
+

Latest revision as of 20:19, 21 March 2018

Metabolite CPD-7137

  • smiles:
    • C(O)C5(C(C(C(C(OC3(=CC([O-])=CC2([O+]=C(C1(=CC=C(O)C=C1))C(=CC=23)OC4(C(O)C(O)C(O)C(CO)O4))))O5)O)O)O)
  • common name:
    • pelargonidin-3,5-di-O-β-D-glucoside
  • inchi key:
    • InChIKey=SLCKJKWFULXZBD-ZOTFFYTFSA-N
  • molecular weight:
    • 594.525
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(O)C5(C(C(C(C(OC3(=CC([O-])=CC2([O+]=C(C1(=CC=C(O)C=C1))C(=CC=23)OC4(C(O)C(O)C(O)C(CO)O4))))O5)O)O)O)" cannot be used as a page name in this wiki.



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