Difference between revisions of "CPD-14705"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-7-DIMETHYLXANTHINE 3-7-DIMETHYLXANTHINE] == * smiles: ** CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2)) *...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14705 CPD-14705] == * smiles: ** CCCCCC(O)C(C[CH]=O)SCC([N+])C(=O)NCC([O-])=O * common name...")
 
(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=3-7-DIMETHYLXANTHINE 3-7-DIMETHYLXANTHINE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14705 CPD-14705] ==
 
* smiles:
 
* smiles:
** CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))
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** CCCCCC(O)C(C[CH]=O)SCC([N+])C(=O)NCC([O-])=O
* inchi key:
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** InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N
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* common name:
 
* common name:
** theobromine
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** 4-hydroxy-2-nonenal-[Cys-Gly] conjugate
 +
* inchi key:
 +
** InChIKey=LQTWZQSULMRBEE-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
** 180.166    
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** 334.43    
 
* Synonym(s):
 
* Synonym(s):
** 3,7-dimethylxanthine
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-11519]]
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* [[RXN-13677]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* DRUGBANK : DB01412
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5429 5429]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659346 90659346]
* HMDB : HMDB02825
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{{#set: smiles=CCCCCC(O)C(C[CH]=O)SCC([N+])C(=O)NCC([O-])=O}}
* LIGAND-CPD:
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{{#set: common name=4-hydroxy-2-nonenal-[Cys-Gly] conjugate}}
** [http://www.genome.jp/dbget-bin/www_bget?C07480 C07480]
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{{#set: inchi key=InChIKey=LQTWZQSULMRBEE-UHFFFAOYSA-N}}
* CHEMSPIDER:
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{{#set: molecular weight=334.43   }}
** [http://www.chemspider.com/Chemical-Structure.5236.html 5236]
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{{#set: consumed by=RXN-13677}}
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28946 28946]
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* METABOLIGHTS : MTBLC28946
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{{#set: smiles=CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))}}
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{{#set: inchi key=InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N}}
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{{#set: common name=theobromine}}
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{{#set: molecular weight=180.166   }}
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{{#set: common name=3,7-dimethylxanthine}}
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{{#set: consumed by=RXN-11519}}
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Latest revision as of 19:54, 21 March 2018

Metabolite CPD-14705

  • smiles:
    • CCCCCC(O)C(C[CH]=O)SCC([N+])C(=O)NCC([O-])=O
  • common name:
    • 4-hydroxy-2-nonenal-[Cys-Gly] conjugate
  • inchi key:
    • InChIKey=LQTWZQSULMRBEE-UHFFFAOYSA-N
  • molecular weight:
    • 334.43
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCC(O)C(C[CH]=O)SCC([N+])C(=O)NCC([O-])=O" cannot be used as a page name in this wiki.
"4-hydroxy-2-nonenal-[Cys-Gly] conjugate" cannot be used as a page name in this wiki.