Difference between revisions of "THREO-DS-ISO-CITRATE"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-14290 RXN-14290] == * direction: ** LEFT-TO-RIGHT * Synonym(s): == Reaction Formula == * With...")
(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:Reaction]]
+
[[Category:Metabolite]]
−
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-14290 RXN-14290] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=TRANS-3-METHYL-GLUTACONYL-COA TRANS-3-METHYL-GLUTACONYL-COA] ==
−
* direction:
+
* smiles:
−
** LEFT-TO-RIGHT
+
** 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):
 
* Synonym(s):
 +
** trans-3-methylglutaconyl-CoA
 +
** (E)-3-methylglutaconyl-1-CoA
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
== Reaction(s) known to produce the compound ==
−
** 1 [[DATP]][c] '''+''' 2 [[CPD-12377]][c] '''=>''' 1 [[CPD-13851]][c] '''+''' 1 [[WATER]][c]
+
* [[METHYLCROTONYL-COA-CARBOXYLASE-RXN]]
−
* With common name(s):
+
== Reaction(s) of unknown directionality ==
−
** 1 dATP[c] '''+''' 2 hydroxyl radical[c] '''=>''' 1 2-hydroxy-dATP[c] '''+''' 1 H2O[c]
+
* [[METHYLGLUTACONYL-COA-HYDRATASE-RXN]]
−
 
+
−
== Genes associated with this reaction  ==
+
−
== Pathways  ==
+
−
== Reconstruction information  ==
+
−
* Category: [[annotation]]
+
−
** Source: [[annotation-esiliculosus_genome]]
+
−
*** Tool: [[pathwaytools]]
+
 
== External links  ==
 
== External links  ==
−
{{#set: direction=LEFT-TO-RIGHT}}
+
* PUBCHEM:
−
{{#set: in pathway=}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657229 90657229]
−
{{#set: reconstruction category=annotation}}
+
* CHEBI:
−
{{#set: reconstruction source=annotation-esiliculosus_genome}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15488 15488]
−
{{#set: reconstruction tool=pathwaytools}}
+
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C03231 C03231]
 +
* HMDB : HMDB01057
 +
{{#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 14:53, 21 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.




Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=THREO-DS-ISO-CITRATE&oldid=22555"