Difference between revisions of "CPD-2742"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ALPHA-TOCOPHEROL ALPHA-TOCOPHEROL] == * smiles: ** CC(C)CCCC(C)CCCC(C)CCCC1(C)(CCC2(=C(C(O)=C(C...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-2742 CPD-2742] == * smiles: ** C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2)) * inchi key: ** InChIKey=...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ALPHA-TOCOPHEROL ALPHA-TOCOPHEROL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-2742 CPD-2742] ==
 
* smiles:
 
* smiles:
** CC(C)CCCC(C)CCCC(C)CCCC1(C)(CCC2(=C(C(O)=C(C)C(=C(O1)2)C)C))
+
** C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2))
 
* inchi key:
 
* inchi key:
** InChIKey=GVJHHUAWPYXKBD-IEOSBIPESA-N
+
** InChIKey=UIKROCXWUNQSPJ-VIFPVBQESA-N
 
* common name:
 
* common name:
** α-tocopherol
+
** cotinine
 
* molecular weight:
 
* molecular weight:
** 430.713    
+
** 176.218    
 
* Synonym(s):
 
* Synonym(s):
** (2R,4'R,8'R)-α-tocopherol
 
** (R,R,R)-α-tocopherol
 
** 5,7,8-trimethyltocol
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN66-169]]
 +
* [[RXN66-161]]
 +
* [[RXN66-163]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[TOCOPHEROL-O-METHYLTRANSFERASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* DRUGBANK : DB00163
 
* NCI:
 
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=82623 82623]
 
* CAS : 2074-53-5
 
* LIPID_MAPS : LMPR02020001
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=14985 14985]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=854019 854019]
* HMDB : HMDB01893
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C02477 C02477]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.14265.html 14265]
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** [http://www.chemspider.com/Chemical-Structure.746405.html 746405]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18145 18145]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=68641 68641]
* METABOLIGHTS : MTBLC18145
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* METABOLIGHTS : MTBLC68641
{{#set: smiles=CC(C)CCCC(C)CCCC(C)CCCC1(C)(CCC2(=C(C(O)=C(C)C(=C(O1)2)C)C))}}
+
* HMDB : HMDB01046
{{#set: inchi key=InChIKey=GVJHHUAWPYXKBD-IEOSBIPESA-N}}
+
{{#set: smiles=C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2))}}
{{#set: common name=α-tocopherol}}
+
{{#set: inchi key=InChIKey=UIKROCXWUNQSPJ-VIFPVBQESA-N}}
{{#set: molecular weight=430.713   }}
+
{{#set: common name=cotinine}}
{{#set: common name=(2R,4'R,8'R)-α-tocopherol|(R,R,R)-α-tocopherol|5,7,8-trimethyltocol}}
+
{{#set: molecular weight=176.218   }}
{{#set: produced by=TOCOPHEROL-O-METHYLTRANSFERASE-RXN}}
+
{{#set: consumed by=RXN66-169|RXN66-161|RXN66-163}}

Latest revision as of 20:37, 21 March 2018

Metabolite CPD-2742

  • smiles:
    • C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2))
  • inchi key:
    • InChIKey=UIKROCXWUNQSPJ-VIFPVBQESA-N
  • common name:
    • cotinine
  • molecular weight:
    • 176.218
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC68641
  • HMDB : HMDB01046
"C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2))" cannot be used as a page name in this wiki.