Difference between revisions of "CPD-12829"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14706 CPD-14706] == * smiles: ** CCCCCC(O)C(CC=O)SCC([N+])C(=O)[O-] * inchi key: ** InChIKe...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14706 CPD-14706] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12829 CPD-12829] ==
 
* smiles:
 
* smiles:
** CCCCCC(O)C(CC=O)SCC([N+])C(=O)[O-]
+
** CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(C)=CCCC(C)=CCC1(=CC(=C(C(=C1O)C)C)O))C)C)C
 +
* molecular weight:
 +
** 751.23   
 
* inchi key:
 
* inchi key:
** InChIKey=SALPDUSHMTYYOH-UHFFFAOYSA-N
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** InChIKey=IJBLJLREWPLEPB-IQSNHBBHSA-N
 
* common name:
 
* common name:
** 4-hydroxy-2-nonenal-[L-Cys] conjugate
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** plastoquinol-9
* molecular weight:
+
** 277.378   
+
 
* Synonym(s):
 
* Synonym(s):
  
 
== 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-13677]]
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* [[RXN-2762]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28026 28026]
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657989 90657989]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6440941 6440941]
{{#set: smiles=CCCCCC(O)C(CC=O)SCC([N+])C(=O)[O-]}}
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* LIGAND-CPD:
{{#set: inchi key=InChIKey=SALPDUSHMTYYOH-UHFFFAOYSA-N}}
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** [http://www.genome.jp/dbget-bin/www_bget?C16695 C16695]
{{#set: common name=4-hydroxy-2-nonenal-[L-Cys] conjugate}}
+
* CHEMSPIDER:
{{#set: molecular weight=277.378    }}
+
** [http://www.chemspider.com/Chemical-Structure.4945177.html 4945177]
{{#set: produced by=RXN-13677}}
+
{{#set: smiles=CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(C)=CCCC(C)=CCC1(=CC(=C(C(=C1O)C)C)O))C)C)C}}
 +
{{#set: molecular weight=751.23    }}
 +
{{#set: inchi key=InChIKey=IJBLJLREWPLEPB-IQSNHBBHSA-N}}
 +
{{#set: common name=plastoquinol-9}}
 +
{{#set: produced by=RXN-2762}}

Latest revision as of 16:03, 9 January 2019

Metabolite CPD-12829

  • smiles:
    • CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(C)=CCCC(C)=CCC1(=CC(=C(C(=C1O)C)C)O))C)C)C
  • molecular weight:
    • 751.23
  • inchi key:
    • InChIKey=IJBLJLREWPLEPB-IQSNHBBHSA-N
  • common name:
    • plastoquinol-9
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links