Difference between revisions of "CPD-15838"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHLORETIN PHLORETIN] == * smiles: ** C1(C=C(C=CC=1CCC(C2(C(=CC(O)=CC(O)=2)O))=O)O) * inchi key:...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15838 CPD-15838] == * smiles: ** CC(=CCCC(=CCCC(=CCCC1(C)(OC2(C(CC1)=CC(=C(C)C=2C)O)))C)C)C...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHLORETIN PHLORETIN] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15838 CPD-15838] ==
 
* smiles:
 
* smiles:
** C1(C=C(C=CC=1CCC(C2(C(=CC(O)=CC(O)=2)O))=O)O)
+
** CC(=CCCC(=CCCC(=CCCC1(C)(OC2(C(CC1)=CC(=C(C)C=2C)O)))C)C)C
 
* inchi key:
 
* inchi key:
** InChIKey=VGEREEWJJVICBM-UHFFFAOYSA-N
+
** InChIKey=OTXNTMVVOOBZCV-WAZJVIJMSA-N
 
* common name:
 
* common name:
** phloretin
+
** γ-tocotrienol
 
* molecular weight:
 
* molecular weight:
** 274.273    
+
** 410.639    
 
* Synonym(s):
 
* Synonym(s):
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-14918]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-11468]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* DRUGBANK : DB07810
 
* NCI:
 
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=407292 407292]
 
* LIPID_MAPS : LMPK12120525
 
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4788 4788]
 
* HMDB : HMDB03306
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00774 C00774]
+
** [http://www.genome.jp/dbget-bin/www_bget?C14155 C14155]
* CHEMSPIDER:
+
* HMDB : HMDB12958
** [http://www.chemspider.com/Chemical-Structure.4624.html 4624]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17276 17276]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=33277 33277]
* METABOLIGHTS : MTBLC17276
+
* METABOLIGHTS : MTBLC33277
{{#set: smiles=C1(C=C(C=CC=1CCC(C2(C(=CC(O)=CC(O)=2)O))=O)O)}}
+
* PUBCHEM:
{{#set: inchi key=InChIKey=VGEREEWJJVICBM-UHFFFAOYSA-N}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5282349 5282349]
{{#set: common name=phloretin}}
+
{{#set: smiles=CC(=CCCC(=CCCC(=CCCC1(C)(OC2(C(CC1)=CC(=C(C)C=2C)O)))C)C)C}}
{{#set: molecular weight=274.273   }}
+
{{#set: inchi key=InChIKey=OTXNTMVVOOBZCV-WAZJVIJMSA-N}}
{{#set: produced by=RXN-11468}}
+
{{#set: common name=γ-tocotrienol}}
 +
{{#set: molecular weight=410.639   }}
 +
{{#set: consumed by=RXN-14918}}

Revision as of 17:55, 23 May 2018

Metabolite CPD-15838

  • smiles:
    • CC(=CCCC(=CCCC(=CCCC1(C)(OC2(C(CC1)=CC(=C(C)C=2C)O)))C)C)C
  • inchi key:
    • InChIKey=OTXNTMVVOOBZCV-WAZJVIJMSA-N
  • common name:
    • γ-tocotrienol
  • molecular weight:
    • 410.639
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIGAND-CPD:
  • HMDB : HMDB12958
  • CHEBI:
  • METABOLIGHTS : MTBLC33277
  • PUBCHEM: