Difference between revisions of "CPD-14950"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OXIDIZED-DITHIOTHREITOL OXIDIZED-DITHIOTHREITOL] == * smiles: ** C1(SSCC(O)C(O)1) * inchi key:...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14950 CPD-14950] == * smiles: ** COC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(O)=CC=2))=3)) * c...")
 
(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=OXIDIZED-DITHIOTHREITOL OXIDIZED-DITHIOTHREITOL] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14950 CPD-14950] ==
 
* smiles:
 
* smiles:
** C1(SSCC(O)C(O)1)
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** COC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(O)=CC=2))=3))
* inchi key:
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** InChIKey=YPGMOWHXEQDBBV-IMJSIDKUSA-N
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* common name:
 
* common name:
** oxidized dithiothreitol
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** 3-O-methylkaempferol
 +
* inchi key:
 +
** InChIKey=VJJZJBUCDWKPLC-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
** 152.226    
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** 300.267    
 
* Synonym(s):
 
* Synonym(s):
 +
** kaempferol 3-methyl ether
 +
** 3-Methoxyapigenin
 +
** isokaempferide
 +
** 3-methylkaempferol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-13935]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[1.1.4.1-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 51621-02-4
 
* DRUGBANK : DB01822
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439407 439407]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280862 5280862]
* HMDB : HMDB59664
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C01119 C01119]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.388524.html 388524]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=42147 42147]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=1579 1579]
{{#set: smiles=C1(SSCC(O)C(O)1)}}
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* LIGAND-CPD:
{{#set: inchi key=InChIKey=YPGMOWHXEQDBBV-IMJSIDKUSA-N}}
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** [http://www.genome.jp/dbget-bin/www_bget?C05902 C05902]
{{#set: common name=oxidized dithiothreitol}}
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{{#set: smiles=COC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(O)=CC=2))=3))}}
{{#set: molecular weight=152.226    }}
+
{{#set: common name=3-O-methylkaempferol}}
{{#set: consumed or produced by=1.1.4.1-RXN}}
+
{{#set: inchi key=InChIKey=VJJZJBUCDWKPLC-UHFFFAOYSA-N}}
 +
{{#set: molecular weight=300.267    }}
 +
{{#set: common name=kaempferol 3-methyl ether|3-Methoxyapigenin|isokaempferide|3-methylkaempferol}}
 +
{{#set: produced by=RXN-13935}}

Latest revision as of 20:20, 21 March 2018

Metabolite CPD-14950

  • smiles:
    • COC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(O)=CC=2))=3))
  • common name:
    • 3-O-methylkaempferol
  • inchi key:
    • InChIKey=VJJZJBUCDWKPLC-UHFFFAOYSA-N
  • molecular weight:
    • 300.267
  • Synonym(s):
    • kaempferol 3-methyl ether
    • 3-Methoxyapigenin
    • isokaempferide
    • 3-methylkaempferol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links