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=THREO-DS-ISO-CITRATE THREO-DS-ISO-CITRATE] == * smiles: ** C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-...")
 
(One intermediate revision by the same user not shown)
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=THREO-DS-ISO-CITRATE THREO-DS-ISO-CITRATE] ==
−
* direction:
+
* smiles:
−
** LEFT-TO-RIGHT
+
** C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-]
 +
* inchi key:
 +
** InChIKey=ODBLHEXUDAPZAU-ZAFYKAAXSA-K
 +
* common name:
 +
** D-threo-isocitrate
 +
* molecular weight:
 +
** 189.101   
 
* Synonym(s):
 
* Synonym(s):
 +
** D-threo-isocitrate
 +
** (1R, 2S)-1-hydroxypropane-1,2,3-tricarboxylate
 +
** D-threo-isocitric acid
 +
** isocitric acid
 +
** isocitrate
 +
** threo-Ds-isocitrate
 +
** I-CIT
 +
** D-isocitrate
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
* [[biomass_rxn]]
−
** 1 [[DATP]][c] '''+''' 2 [[CPD-12377]][c] '''=>''' 1 [[CPD-13851]][c] '''+''' 1 [[WATER]][c]
+
== Reaction(s) known to produce the compound ==
−
* With common name(s):
+
== Reaction(s) of unknown directionality ==
−
** 1 dATP[c] '''+''' 2 hydroxyl radical[c] '''=>''' 1 2-hydroxy-dATP[c] '''+''' 1 H2O[c]
+
* [[ACONITATEHYDR-RXN]]
−
 
+
* [[ISOCITDEH-RXN]]
−
== Genes associated with this reaction  ==
+
* [[RXN-14047]]
−
== Pathways  ==
+
* [[ISOCIT-CLEAV-RXN]]
−
== Reconstruction information  ==
+
* [[RXN-9951]]
−
* Category: [[annotation]]
+
−
** Source: [[annotation-esiliculosus_genome]]
+
−
*** Tool: [[pathwaytools]]
+
 
== External links  ==
 
== External links  ==
−
{{#set: direction=LEFT-TO-RIGHT}}
+
* CAS : 320-77-4
−
{{#set: in pathway=}}
+
* CAS : 30810-51-6
−
{{#set: reconstruction category=annotation}}
+
* BIGG : 34579
−
{{#set: reconstruction source=annotation-esiliculosus_genome}}
+
* PUBCHEM:
−
{{#set: reconstruction tool=pathwaytools}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459771 5459771]
 +
* KNAPSACK : C00001188
 +
* HMDB : HMDB01874
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C00451 C00451]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.4573553.html 4573553]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15562 15562]
 +
* METABOLIGHTS : MTBLC15562
 +
{{#set: smiles=C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-]}}
 +
{{#set: inchi key=InChIKey=ODBLHEXUDAPZAU-ZAFYKAAXSA-K}}
 +
{{#set: common name=D-threo-isocitrate}}
 +
{{#set: molecular weight=189.101    }}
 +
{{#set: common name=D-threo-isocitrate|(1R, 2S)-1-hydroxypropane-1,2,3-tricarboxylate|D-threo-isocitric acid|isocitric acid|isocitrate|threo-Ds-isocitrate|I-CIT|D-isocitrate}}
 +
{{#set: consumed by=biomass_rxn}}
 +
{{#set: reversible reaction associated=ACONITATEHYDR-RXN|ISOCITDEH-RXN|RXN-14047|ISOCIT-CLEAV-RXN|RXN-9951}}

Latest revision as of 19:53, 21 March 2018

Metabolite THREO-DS-ISO-CITRATE

  • smiles:
    • C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-]
  • inchi key:
    • InChIKey=ODBLHEXUDAPZAU-ZAFYKAAXSA-K
  • common name:
    • D-threo-isocitrate
  • molecular weight:
    • 189.101
  • Synonym(s):
    • D-threo-isocitrate
    • (1R, 2S)-1-hydroxypropane-1,2,3-tricarboxylate
    • D-threo-isocitric acid
    • isocitric acid
    • isocitrate
    • threo-Ds-isocitrate
    • I-CIT
    • D-isocitrate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 320-77-4
  • CAS : 30810-51-6
  • BIGG : 34579
  • PUBCHEM:
  • KNAPSACK : C00001188
  • HMDB : HMDB01874
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC15562
"C(=O)(C(CC([O-])=O)C(O)C([O-])=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=30077"