Difference between revisions of "HOP-2229-ENE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7630 CPD-7630] == * smiles: ** C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C3)O) * inchi ke...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOP-2229-ENE HOP-2229-ENE] == * smiles: ** C=C(C)C5(CCC4(C)([CH](CCC2(C)([CH](CC[CH]1(C3(C)(CCC...")
 
(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=CPD-7630 CPD-7630] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOP-2229-ENE HOP-2229-ENE] ==
 
* smiles:
 
* smiles:
−
** C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C3)O)
+
** C=C(C)C5(CCC4(C)([CH](CCC2(C)([CH](CC[CH]1(C3(C)(CCCC(C)(C)[CH](CCC(C)12)3)))4))5))
−
* inchi key:
+
−
** InChIKey=PFTAWBLQPZVEMU-UKRRQHHQSA-N
+
 
* common name:
 
* common name:
−
** (-)-epicatechin
+
** hop-22(29)-ene
 +
* inchi key:
 +
** InChIKey=HHXYJYBYNZMZKX-PYQRSULMSA-N
 
* molecular weight:
 
* molecular weight:
−
** 290.272    
+
** 410.725    
 
* Synonym(s):
 
* Synonym(s):
−
** epicatechin
+
** diploptene
−
** 2,3-cis-epicatechin
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-9725]]
+
* [[5.4.99.17-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* LIPID_MAPS : LMPK12020003
 
 
* PUBCHEM:
 
* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72276 72276]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=92155 92155]
−
* HMDB : HMDB01871
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C09727 C09727]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.65230.html 65230]
+
** [http://www.chemspider.com/Chemical-Structure.83200.html 83200]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=90 90]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=4648 4648]
−
* METABOLIGHTS : MTBLC90
+
* LIGAND-CPD:
−
{{#set: smiles=C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C3)O)}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C06310 C06310]
−
{{#set: inchi key=InChIKey=PFTAWBLQPZVEMU-UKRRQHHQSA-N}}
+
{{#set: smiles=C=C(C)C5(CCC4(C)([CH](CCC2(C)([CH](CC[CH]1(C3(C)(CCCC(C)(C)[CH](CCC(C)12)3)))4))5))}}
−
{{#set: common name=(-)-epicatechin}}
+
{{#set: common name=hop-22(29)-ene}}
−
{{#set: molecular weight=290.272   }}
+
{{#set: inchi key=InChIKey=HHXYJYBYNZMZKX-PYQRSULMSA-N}}
−
{{#set: common name=epicatechin|2,3-cis-epicatechin}}
+
{{#set: molecular weight=410.725   }}
−
{{#set: produced by=RXN-9725}}
+
{{#set: common name=diploptene}}
 +
{{#set: produced by=5.4.99.17-RXN}}

Latest revision as of 20:11, 21 March 2018

Metabolite HOP-2229-ENE

  • smiles:
    • C=C(C)C5(CCC4(C)([CH](CCC2(C)([CH](CC[CH]1(C3(C)(CCCC(C)(C)[CH](CCC(C)12)3)))4))5))
  • common name:
    • hop-22(29)-ene
  • inchi key:
    • InChIKey=HHXYJYBYNZMZKX-PYQRSULMSA-N
  • molecular weight:
    • 410.725
  • Synonym(s):
    • diploptene

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C=C(C)C5(CCC4(C)([CH](CCC2(C)([CH](CC[CH]1(C3(C)(CCCC(C)(C)[CH](CCC(C)12)3)))4))5))" cannot be used as a page name in this wiki.



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