Difference between revisions of "CPD-14594"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=T2-DECENOYL-COA T2-DECENOYL-COA] == * smiles: ** CCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=NN-DIMETHYLANILINE-N-OXIDE NN-DIMETHYLANILINE-N-OXIDE] == * smiles: ** CN(C)(=O)C1(C=CC=CC=1) *...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=T2-DECENOYL-COA T2-DECENOYL-COA] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=NN-DIMETHYLANILINE-N-OXIDE NN-DIMETHYLANILINE-N-OXIDE] ==
 
* smiles:
 
* smiles:
** CCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
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** CN(C)(=O)C1(C=CC=CC=1)
* inchi key:
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** InChIKey=MGNBGCRQQFMNBM-YJHHLLFWSA-J
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* common name:
 
* common name:
** trans-dec-2-enoyl-CoA
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** N,N-dimethylaniline-N-oxide
 +
* inchi key:
 +
** InChIKey=LKQUDAOAMBKKQW-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
** 915.738    
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** 137.181    
 
* Synonym(s):
 
* Synonym(s):
** 2E-decenoyl-CoA
 
** 2-trans-decenoyl-CoA
 
** trans-Δ2-decenoyl-CoA
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-13616]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-13615]]
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* [[1.14.13.8-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* BIGG : dc2coa
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=50909850 50909850]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=950 950]
* HMDB : HMDB03948
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* CHEMSPIDER:
* LIGAND-CPD:
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** [http://www.chemspider.com/Chemical-Structure.925.html 925]
** [http://www.genome.jp/dbget-bin/www_bget?C05275 C05275]
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* HMDB : HMDB01466
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61406 61406]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17735 17735]
* METABOLIGHTS : MTBLC61406
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* LIGAND-CPD:
{{#set: smiles=CCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
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** [http://www.genome.jp/dbget-bin/www_bget?C01183 C01183]
{{#set: inchi key=InChIKey=MGNBGCRQQFMNBM-YJHHLLFWSA-J}}
+
{{#set: smiles=CN(C)(=O)C1(C=CC=CC=1)}}
{{#set: common name=trans-dec-2-enoyl-CoA}}
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{{#set: common name=N,N-dimethylaniline-N-oxide}}
{{#set: molecular weight=915.738   }}
+
{{#set: inchi key=InChIKey=LKQUDAOAMBKKQW-UHFFFAOYSA-N}}
{{#set: common name=2E-decenoyl-CoA|2-trans-decenoyl-CoA|trans-Δ2-decenoyl-CoA}}
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{{#set: molecular weight=137.181   }}
{{#set: consumed by=RXN-13616}}
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{{#set: produced by=1.14.13.8-RXN}}
{{#set: produced by=RXN-13615}}
+

Revision as of 16:55, 21 March 2018

Metabolite NN-DIMETHYLANILINE-N-OXIDE

  • smiles:
    • CN(C)(=O)C1(C=CC=CC=1)
  • common name:
    • N,N-dimethylaniline-N-oxide
  • inchi key:
    • InChIKey=LKQUDAOAMBKKQW-UHFFFAOYSA-N
  • molecular weight:
    • 137.181
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links