Difference between revisions of "CPD-731"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13174 CPD-13174] == * smiles: ** C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O * inchi key: *...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-731 CPD-731] == * smiles: ** CCC=CCC1(C(=O)CCC1CC([O-])=O) * common name: ** (+)-7-iso-jasm...")
 
(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=CPD-13174 CPD-13174] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-731 CPD-731] ==
 
* smiles:
 
* smiles:
** C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O
+
** CCC=CCC1(C(=O)CCC1CC([O-])=O)
* inchi key:
+
** InChIKey=WYYMYYOXCOEMCU-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
** salicyl-6-hydroxy-2-cyclohexene-on-oyl
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** (+)-7-iso-jasmonate
 +
* inchi key:
 +
** InChIKey=ZNJFBWYDHIGLCU-QKMQQOOLSA-M
 
* molecular weight:
 
* molecular weight:
** 262.262    
+
** 209.264    
 
* Synonym(s):
 
* Synonym(s):
** salicyl-HCH
+
** (+)-7-iso-jasmonic acid
** 2-cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, (2-hydroxyphenyl)methyl ester
+
** iso-jasmonic acid
** acylsaligenin
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** (3R,7S)-(+)-7-iso-jasmonate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-12252]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-10708]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 529507-98-0
+
* LIPID_MAPS : LMFA02020003
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=14731723 14731723]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7251182 7251182]
{{#set: smiles=C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O}}
+
* CHEMSPIDER:
{{#set: inchi key=InChIKey=WYYMYYOXCOEMCU-UHFFFAOYSA-N}}
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** [http://www.chemspider.com/Chemical-Structure.5584838.html 5584838]
{{#set: common name=salicyl-6-hydroxy-2-cyclohexene-on-oyl}}
+
* CHEBI:
{{#set: molecular weight=262.262   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18435 18435]
{{#set: common name=salicyl-HCH|2-cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, (2-hydroxyphenyl)methyl ester|acylsaligenin}}
+
* LIGAND-CPD:
{{#set: consumed by=RXN-12252}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C16317 C16317]
 +
{{#set: smiles=CCC=CCC1(C(=O)CCC1CC([O-])=O)}}
 +
{{#set: common name=(+)-7-iso-jasmonate}}
 +
{{#set: inchi key=InChIKey=ZNJFBWYDHIGLCU-QKMQQOOLSA-M}}
 +
{{#set: molecular weight=209.264   }}
 +
{{#set: common name=(+)-7-iso-jasmonic acid|iso-jasmonic acid|(3R,7S)-(+)-7-iso-jasmonate}}
 +
{{#set: produced by=RXN-10708}}

Latest revision as of 21:13, 21 March 2018

Metabolite CPD-731

  • smiles:
    • CCC=CCC1(C(=O)CCC1CC([O-])=O)
  • common name:
    • (+)-7-iso-jasmonate
  • inchi key:
    • InChIKey=ZNJFBWYDHIGLCU-QKMQQOOLSA-M
  • molecular weight:
    • 209.264
  • Synonym(s):
    • (+)-7-iso-jasmonic acid
    • iso-jasmonic acid
    • (3R,7S)-(+)-7-iso-jasmonate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC=CCC1(C(=O)CCC1CC([O-])=O)" cannot be used as a page name in this wiki.