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-19014 CPD-19014] == * smiles: ** CC(O)(C)C(=O)[O-] * common name: ** 2-hydroxy-2-methylprop...")
(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...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19014 CPD-19014] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOP-2229-ENE HOP-2229-ENE] ==
 
* smiles:
 
* smiles:
** CC(O)(C)C(=O)[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))
 
* common name:
 
* common name:
** 2-hydroxy-2-methylpropanoate
+
** hop-22(29)-ene
 
* inchi key:
 
* inchi key:
** InChIKey=BWLBGMIXKSTLSX-UHFFFAOYSA-M
+
** InChIKey=HHXYJYBYNZMZKX-PYQRSULMSA-N
 
* molecular weight:
 
* molecular weight:
** 103.097    
+
** 410.725    
 
* Synonym(s):
 
* Synonym(s):
** 2-hydroxyisobutyrate
+
** diploptene
** 2-methyllactate
+
** 2-hydroxyisobutanoate
+
  
 
== 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 ==
 +
* [[5.4.99.17-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-17607]]
 
* [[RXN-17608]]
 
 
== External links  ==
 
== External links  ==
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=92155 92155]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.3484177.html 3484177]
+
** [http://www.chemspider.com/Chemical-Structure.83200.html 83200]
{{#set: smiles=CC(O)(C)C(=O)[O-]}}
+
* CHEBI:
{{#set: common name=2-hydroxy-2-methylpropanoate}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=4648 4648]
{{#set: inchi key=InChIKey=BWLBGMIXKSTLSX-UHFFFAOYSA-M}}
+
* LIGAND-CPD:
{{#set: molecular weight=103.097   }}
+
** [http://www.genome.jp/dbget-bin/www_bget?C06310 C06310]
{{#set: common name=2-hydroxyisobutyrate|2-methyllactate|2-hydroxyisobutanoate}}
+
{{#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: reversible reaction associated=RXN-17607|RXN-17608}}
+
{{#set: common name=hop-22(29)-ene}}
 +
{{#set: inchi key=InChIKey=HHXYJYBYNZMZKX-PYQRSULMSA-N}}
 +
{{#set: molecular weight=410.725   }}
 +
{{#set: common name=diploptene}}
 +
{{#set: produced by=5.4.99.17-RXN}}

Latest revision as of 21:11, 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.