Difference between revisions of "2-ALPHA-HYDROXYETHYL-THPP"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15654 CPD-15654] == * smiles: ** CCCCCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12327 CPD-12327] == * smiles: ** CCCC#N * common name: ** n-butyronitrile * inchi key: ** I...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15654 CPD-15654] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12327 CPD-12327] ==
 
* smiles:
 
* smiles:
−
** CCCCCCC=CC=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-]
+
** CCCC#N
−
* inchi key:
+
−
** InChIKey=SZKPLUULGGERFD-NFPSBOAPSA-J
+
 
* common name:
 
* common name:
−
** 2-trans, 4-cis-undecadienoyl-CoA
+
** n-butyronitrile
 +
* inchi key:
 +
** InChIKey=KVNRLNFWIYMESJ-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 927.749    
+
** 69.106    
 
* Synonym(s):
 
* Synonym(s):
−
** 2E, 4Z-undecadienoyl-CoA
+
** 1-cyanopropane
 +
** n-propyl cyanide
 +
** propyl cyanide
 +
** butyronitrile
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-14726]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-14775]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658228 90658228]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=8008 8008]
−
{{#set: smiles=CCCCCCC=CC=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-]}}
+
* CHEMSPIDER:
−
{{#set: inchi key=InChIKey=SZKPLUULGGERFD-NFPSBOAPSA-J}}
+
** [http://www.chemspider.com/Chemical-Structure.7717.html 7717]
−
{{#set: common name=2-trans, 4-cis-undecadienoyl-CoA}}
+
* CHEBI:
−
{{#set: molecular weight=927.749   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=51937 51937]
−
{{#set: common name=2E, 4Z-undecadienoyl-CoA}}
+
{{#set: smiles=CCCC#N}}
−
{{#set: produced by=RXN-14775}}
+
{{#set: common name=n-butyronitrile}}
 +
{{#set: inchi key=InChIKey=KVNRLNFWIYMESJ-UHFFFAOYSA-N}}
 +
{{#set: molecular weight=69.106   }}
 +
{{#set: common name=1-cyanopropane|n-propyl cyanide|propyl cyanide|butyronitrile}}
 +
{{#set: consumed by=RXN-14726}}

Revision as of 16:48, 21 March 2018

Metabolite CPD-12327

  • smiles:
    • CCCC#N
  • common name:
    • n-butyronitrile
  • inchi key:
    • InChIKey=KVNRLNFWIYMESJ-UHFFFAOYSA-N
  • molecular weight:
    • 69.106
  • Synonym(s):
    • 1-cyanopropane
    • n-propyl cyanide
    • propyl cyanide
    • butyronitrile

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




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