Difference between revisions of "DEOXYHYPUSINE-MONOOXYGENASE-RXN"

From metabolic_network
Jump to: navigation, search
(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=TRANS-3-METHYL-GLUTACONYL-COA TRANS-3-METHYL-GLUTACONYL-COA] == * smiles: ** CC(=CC(=O)SCCNC(=O...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13174 CPD-13174] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=TRANS-3-METHYL-GLUTACONYL-COA TRANS-3-METHYL-GLUTACONYL-COA] ==
 
* smiles:
 
* smiles:
** C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O
+
** CC(=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])CC(=O)[O-]
 
* inchi key:
 
* inchi key:
** InChIKey=WYYMYYOXCOEMCU-UHFFFAOYSA-N
+
** InChIKey=GXKSHRDAHFLWPN-RKYLSHMCSA-I
 
* common name:
 
* common name:
** salicyl-6-hydroxy-2-cyclohexene-on-oyl
+
** 3-methylglutaconyl-CoA
 
* molecular weight:
 
* molecular weight:
** 262.262    
+
** 888.606    
 
* Synonym(s):
 
* Synonym(s):
** salicyl-HCH
+
** trans-3-methylglutaconyl-CoA
** 2-cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, (2-hydroxyphenyl)methyl ester
+
** (E)-3-methylglutaconyl-1-CoA
** 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 ==
 +
* [[METHYLCROTONYL-COA-CARBOXYLASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[METHYLGLUTACONYL-COA-HYDRATASE-RXN]]
 
== External links  ==
 
== External links  ==
* CAS : 529507-98-0
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=14731723 14731723]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657229 90657229]
{{#set: smiles=C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O}}
+
* CHEBI:
{{#set: inchi key=InChIKey=WYYMYYOXCOEMCU-UHFFFAOYSA-N}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15488 15488]
{{#set: common name=salicyl-6-hydroxy-2-cyclohexene-on-oyl}}
+
* LIGAND-CPD:
{{#set: molecular weight=262.262   }}
+
** [http://www.genome.jp/dbget-bin/www_bget?C03231 C03231]
{{#set: common name=salicyl-HCH|2-cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, (2-hydroxyphenyl)methyl ester|acylsaligenin}}
+
* HMDB : HMDB01057
{{#set: consumed by=RXN-12252}}
+
{{#set: smiles=CC(=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])CC(=O)[O-]}}
 +
{{#set: inchi key=InChIKey=GXKSHRDAHFLWPN-RKYLSHMCSA-I}}
 +
{{#set: common name=3-methylglutaconyl-CoA}}
 +
{{#set: molecular weight=888.606   }}
 +
{{#set: common name=trans-3-methylglutaconyl-CoA|(E)-3-methylglutaconyl-1-CoA}}
 +
{{#set: produced by=METHYLCROTONYL-COA-CARBOXYLASE-RXN}}
 +
{{#set: reversible reaction associated=METHYLGLUTACONYL-COA-HYDRATASE-RXN}}

Revision as of 21:55, 17 March 2018

Metabolite TRANS-3-METHYL-GLUTACONYL-COA

  • smiles:
    • CC(=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])CC(=O)[O-]
  • inchi key:
    • InChIKey=GXKSHRDAHFLWPN-RKYLSHMCSA-I
  • common name:
    • 3-methylglutaconyl-CoA
  • molecular weight:
    • 888.606
  • Synonym(s):
    • trans-3-methylglutaconyl-CoA
    • (E)-3-methylglutaconyl-1-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])CC(=O)[O-" cannot be used as a page name in this wiki.