Difference between revisions of "CPD-558"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15616 CPD-15616] == * smiles: ** C(O)C(=O)C(O)C(O)C(O)CO * inchi key: ** InChIKey=BJHIKXHVC...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7117 CPD-7117] == * smiles: ** C(O)C1(C(O)C(O)C(O)C(O1)OC3(C(C2(C=C(O)C(O)=C(O)C=2))=[O+]C4...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15616 CPD-15616] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7117 CPD-7117] ==
 
* smiles:
 
* smiles:
** C(O)C(=O)C(O)C(O)C(O)CO
+
** C(O)C1(C(O)C(O)C(O)C(O1)OC3(C(C2(C=C(O)C(O)=C(O)C=2))=[O+]C4(C(C=3)=C([O-])C=C([O-])C=4)))
 
* inchi key:
 
* inchi key:
** InChIKey=BJHIKXHVCXFQLS-OTWZMJIISA-N
+
** InChIKey=XENHPQQLDPAYIJ-PEVLUNPASA-M
 
* common name:
 
* common name:
** keto-L-sorbose
+
** delphinidin-3-O-β-D-glucoside
 
* molecular weight:
 
* molecular weight:
** 180.157    
+
** 463.374    
 
* Synonym(s):
 
* Synonym(s):
 +
** delfinidin-3-O-glucoside
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-8228]]
 
== 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-14811]]
 
* [[L-IDITOL-2-DEHYDROGENASE-RXN]]
 
 
== External links  ==
 
== External links  ==
 +
* LIPID_MAPS : LMPK12010278
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6904 6904]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=102515359 102515359]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=13172 13172]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=31463 31463]
* METABOLIGHTS : MTBLC13172
+
* LIGAND-CPD:
{{#set: smiles=C(O)C(=O)C(O)C(O)C(O)CO}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C12138 C12138]
{{#set: inchi key=InChIKey=BJHIKXHVCXFQLS-OTWZMJIISA-N}}
+
* HMDB : HMDB37997
{{#set: common name=keto-L-sorbose}}
+
{{#set: smiles=C(O)C1(C(O)C(O)C(O)C(O1)OC3(C(C2(C=C(O)C(O)=C(O)C=2))=[O+]C4(C(C=3)=C([O-])C=C([O-])C=4)))}}
{{#set: molecular weight=180.157   }}
+
{{#set: inchi key=InChIKey=XENHPQQLDPAYIJ-PEVLUNPASA-M}}
{{#set: consumed or produced by=RXN-14811|L-IDITOL-2-DEHYDROGENASE-RXN}}
+
{{#set: common name=delphinidin-3-O-β-D-glucoside}}
 +
{{#set: molecular weight=463.374   }}
 +
{{#set: common name=delfinidin-3-O-glucoside}}
 +
{{#set: consumed by=RXN-8228}}

Revision as of 18:55, 18 March 2018

Metabolite CPD-7117

  • smiles:
    • C(O)C1(C(O)C(O)C(O)C(O1)OC3(C(C2(C=C(O)C(O)=C(O)C=2))=[O+]C4(C(C=3)=C([O-])C=C([O-])C=4)))
  • inchi key:
    • InChIKey=XENHPQQLDPAYIJ-PEVLUNPASA-M
  • common name:
    • delphinidin-3-O-β-D-glucoside
  • molecular weight:
    • 463.374
  • Synonym(s):
    • delfinidin-3-O-glucoside

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(C(C2(C=C(O)C(O)=C(O)C=2))=[O+]C4(C(C=3)=C([O-])C=C([O-])C=4)))" cannot be used as a page name in this wiki.