Difference between revisions of "CPD-14706"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETALD ACETALD] == * smiles: ** C[CH]=O * inchi key: ** InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N *...")
 
(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-] * common name: ** 4-hyd...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETALD ACETALD] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14706 CPD-14706] ==
 
* smiles:
 
* smiles:
** C[CH]=O
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** CCCCCC(O)C(CC=O)SCC([N+])C(=O)[O-]
* inchi key:
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** InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N
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* common name:
 
* common name:
** acetaldehyde
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** 4-hydroxy-2-nonenal-[L-Cys] conjugate
 +
* inchi key:
 +
** InChIKey=SALPDUSHMTYYOH-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
** 44.053    
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** 277.378    
 
* Synonym(s):
 
* Synonym(s):
** acetic aldehyde
 
** ethanal
 
** aldehyde
 
** ethyl aldehyde
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[ALCDHi]]
 
* [[ALCDHmi]]
 
* [[ALDDH]]
 
* [[ALDDHm]]
 
* [[ALCDH_nadp_hi]]
 
* [[ALCDH_nadp_i]]
 
* [[RXN0-3962]]
 
* [[RXN66-3]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[THREONINE-ALDOLASE-RXN]]
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* [[RXN-13677]]
* [[RXN0-5234]]
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== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[ALCOHOL-DEHYDROG-RXN]]
 
* [[ETHANOLAMINE-PHOSPHATE-PHOSPHO-LYASE-RXN]]
 
* [[ACETALD-DEHYDROG-RXN]]
 
* [[RXN-12484]]
 
 
== External links  ==
 
== External links  ==
* UM-BBD-CPD : c0160
 
* CAS : 75-07-0
 
* METABOLIGHTS : MTBLC15343
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=177 177]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657989 90657989]
* HMDB : HMDB00990
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{{#set: smiles=CCCCCC(O)C(CC=O)SCC([N+])C(=O)[O-]}}
* LIGAND-CPD:
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{{#set: common name=4-hydroxy-2-nonenal-[L-Cys] conjugate}}
** [http://www.genome.jp/dbget-bin/www_bget?C00084 C00084]
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{{#set: inchi key=InChIKey=SALPDUSHMTYYOH-UHFFFAOYSA-N}}
* CHEMSPIDER:
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{{#set: molecular weight=277.378   }}
** [http://www.chemspider.com/Chemical-Structure.172.html 172]
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{{#set: produced by=RXN-13677}}
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15343 15343]
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* BIGG : acald
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{{#set: smiles=C[CH]=O}}
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{{#set: inchi key=InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N}}
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{{#set: common name=acetaldehyde}}
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{{#set: molecular weight=44.053   }}
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{{#set: common name=acetic aldehyde|ethanal|aldehyde|ethyl aldehyde}}
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{{#set: consumed by=ALCDHi|ALCDHmi|ALDDH|ALDDHm|ALCDH_nadp_hi|ALCDH_nadp_i|RXN0-3962|RXN66-3}}
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{{#set: produced by=THREONINE-ALDOLASE-RXN|RXN0-5234}}
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{{#set: consumed or produced by=ALCOHOL-DEHYDROG-RXN|ETHANOLAMINE-PHOSPHATE-PHOSPHO-LYASE-RXN|ACETALD-DEHYDROG-RXN|RXN-12484}}
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Latest revision as of 19:33, 21 March 2018

Metabolite CPD-14706

  • smiles:
    • CCCCCC(O)C(CC=O)SCC([N+])C(=O)[O-]
  • common name:
    • 4-hydroxy-2-nonenal-[L-Cys] conjugate
  • inchi key:
    • InChIKey=SALPDUSHMTYYOH-UHFFFAOYSA-N
  • molecular weight:
    • 277.378
  • 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(CC=O)SCC([N+])C(=O)[O-" cannot be used as a page name in this wiki.
"4-hydroxy-2-nonenal-[L-Cys] conjugate" cannot be used as a page name in this wiki.