Difference between revisions of "CPD-13174"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=L-CYSTATHIONINE L-CYSTATHIONINE] == * smiles: ** C(SCC(C([O-])=O)[N+])CC([N+])C([O-])=O * inchi...")
 
(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: *...")
 
(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=L-CYSTATHIONINE L-CYSTATHIONINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13174 CPD-13174] ==
 
* smiles:
 
* smiles:
−
** C(SCC(C([O-])=O)[N+])CC([N+])C([O-])=O
+
** C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=ILRYLPWNYFXEMH-WHFBIAKZSA-N
+
** InChIKey=WYYMYYOXCOEMCU-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** L-cystathionine
+
** salicyl-6-hydroxy-2-cyclohexene-on-oyl
 
* molecular weight:
 
* molecular weight:
−
** 222.259    
+
** 262.262    
 
* Synonym(s):
 
* Synonym(s):
−
** cystathionine
+
** 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 consume the compound ==
−
* [[RXN-15130]]
+
* [[RXN-12252]]
−
* [[RXN-15131]]
+
−
* [[CYSTATHIONINE-BETA-LYASE-RXN]]
+
−
* [[RXN-14048]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[O-SUCCHOMOSERLYASE-RXN]]
 
−
* [[CYSPH-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[CYSTATHIONINE-BETA-SYNTHASE-RXN]]
 
−
* [[CYSTATHIONASE-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 56-88-2
+
* CAS : 529507-98-0
−
* BIGG : 39523
+
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25243997 25243997]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=14731723 14731723]
−
* HMDB : HMDB00099
+
{{#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?C02291 C02291]
+
{{#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=58161 58161]
+
{{#set: common name=salicyl-HCH|2-cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, (2-hydroxyphenyl)methyl ester|acylsaligenin}}
−
* METABOLIGHTS : MTBLC58161
+
{{#set: consumed by=RXN-12252}}
−
{{#set: smiles=C(SCC(C([O-])=O)[N+])CC([N+])C([O-])=O}}
+
−
{{#set: inchi key=InChIKey=ILRYLPWNYFXEMH-WHFBIAKZSA-N}}
+
−
{{#set: common name=L-cystathionine}}
+
−
{{#set: molecular weight=222.259   }}
+
−
{{#set: common name=cystathionine}}
+
−
{{#set: consumed by=RXN-15130|RXN-15131|CYSTATHIONINE-BETA-LYASE-RXN|RXN-14048}}
+
−
{{#set: produced by=O-SUCCHOMOSERLYASE-RXN|CYSPH-RXN}}
+
−
{{#set: consumed or produced by=CYSTATHIONINE-BETA-SYNTHASE-RXN|CYSTATHIONASE-RXN}}
+

Latest revision as of 19:53, 21 March 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




Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=CPD-13174&oldid=30086"