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:...")
 
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHLORETIN PHLORETIN] ==
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== 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)
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** CC(=CCCC(=CCCC(=CCCC1(C)(OC2(C(CC1)=CC(=C(C)C=2C)O)))C)C)C
 +
* molecular weight:
 +
** 410.639   
 
* inchi key:
 
* inchi key:
** InChIKey=VGEREEWJJVICBM-UHFFFAOYSA-N
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** InChIKey=OTXNTMVVOOBZCV-WAZJVIJMSA-N
 
* common name:
 
* common name:
** phloretin
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** γ-tocotrienol
* molecular weight:
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** 274.273   
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* 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
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* CHEBI:
* NCI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=33277 33277]
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=407292 407292]
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* METABOLIGHTS : MTBLC33277
* LIPID_MAPS : LMPK12120525
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* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4788 4788]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5282349 5282349]
* HMDB : HMDB03306
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* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00774 C00774]
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** [http://www.genome.jp/dbget-bin/www_bget?C14155 C14155]
* CHEMSPIDER:
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* HMDB : HMDB12958
** [http://www.chemspider.com/Chemical-Structure.4624.html 4624]
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{{#set: smiles=CC(=CCCC(=CCCC(=CCCC1(C)(OC2(C(CC1)=CC(=C(C)C=2C)O)))C)C)C}}
* CHEBI:
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{{#set: molecular weight=410.639    }}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17276 17276]
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{{#set: inchi key=InChIKey=OTXNTMVVOOBZCV-WAZJVIJMSA-N}}
* METABOLIGHTS : MTBLC17276
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{{#set: common name=γ-tocotrienol}}
{{#set: smiles=C1(C=C(C=CC=1CCC(C2(C(=CC(O)=CC(O)=2)O))=O)O)}}
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{{#set: consumed by=RXN-14918}}
{{#set: inchi key=InChIKey=VGEREEWJJVICBM-UHFFFAOYSA-N}}
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{{#set: common name=phloretin}}
+
{{#set: molecular weight=274.273    }}
+
{{#set: produced by=RXN-11468}}
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Latest revision as of 18:54, 9 January 2019

Metabolite CPD-15838

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

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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