Difference between revisions of "RXN-14481"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=L-THREONINE-O-3-PHOSPHATE L-THREONINE-O-3-PHOSPHATE] == * smiles: ** CC(OP([O-])([O-])=O)C([N+]...")
 
(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: *...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=L-THREONINE-O-3-PHOSPHATE L-THREONINE-O-3-PHOSPHATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13174 CPD-13174] ==
 
* smiles:
 
* smiles:
−
** CC(OP([O-])([O-])=O)C([N+])C([O-])=O
+
** C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=USRGIUJOYOXOQJ-GBXIJSLDSA-L
+
** InChIKey=WYYMYYOXCOEMCU-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** L-threonine 3-O-phosphate
+
** salicyl-6-hydroxy-2-cyclohexene-on-oyl
 
* molecular weight:
 
* molecular weight:
−
** 197.084    
+
** 262.262    
 
* Synonym(s):
 
* Synonym(s):
−
** O-phospho-L-threonine
+
** salicyl-HCH
−
** phosphothreonine
+
** 2-cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, (2-hydroxyphenyl)methyl ester
 +
** acylsaligenin
  
 
== 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-8626]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 1114-81-4
+
* CAS : 529507-98-0
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=36688171 36688171]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=14731723 14731723]
−
* HMDB : HMDB11185
+
{{#set: smiles=C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O}}
−
* LIGAND-CPD:
+
{{#set: inchi key=InChIKey=WYYMYYOXCOEMCU-UHFFFAOYSA-N}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C12147 C12147]
+
{{#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=58675 58675]
+
{{#set: common name=salicyl-HCH|2-cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, (2-hydroxyphenyl)methyl ester|acylsaligenin}}
−
* BIGG : thrp
+
{{#set: consumed by=RXN-12252}}
−
{{#set: smiles=CC(OP([O-])([O-])=O)C([N+])C([O-])=O}}
+
−
{{#set: inchi key=InChIKey=USRGIUJOYOXOQJ-GBXIJSLDSA-L}}
+
−
{{#set: common name=L-threonine 3-O-phosphate}}
+
−
{{#set: molecular weight=197.084   }}
+
−
{{#set: common name=O-phospho-L-threonine|phosphothreonine}}
+
−
{{#set: produced by=RXN-8626}}
+

Revision as of 17:24, 10 January 2018

Metabolite CPD-13174

  • smiles:
    • C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O
  • inchi key:
    • InChIKey=WYYMYYOXCOEMCU-UHFFFAOYSA-N
  • common name:
    • salicyl-6-hydroxy-2-cyclohexene-on-oyl
  • molecular weight:
    • 262.262
  • Synonym(s):
    • salicyl-HCH
    • 2-cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, (2-hydroxyphenyl)methyl ester
    • acylsaligenin

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




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