Difference between revisions of "Ec-02 001740"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXY-L-KYNURENINE 3-HYDROXY-L-KYNURENINE] == * smiles: ** C([O-])(=O)C([N+])CC(=O)C1(=C(N)...")
(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-...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXY-L-KYNURENINE 3-HYDROXY-L-KYNURENINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THREO-DS-ISO-CITRATE THREO-DS-ISO-CITRATE] ==
 
* smiles:
 
* smiles:
−
** C([O-])(=O)C([N+])CC(=O)C1(=C(N)C(O)=CC=C1)
+
** C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=VCKPUUFAIGNJHC-LURJTMIESA-N
+
** InChIKey=ODBLHEXUDAPZAU-ZAFYKAAXSA-K
 
* common name:
 
* common name:
−
** 3-hydroxy-L-kynurenine
+
** D-threo-isocitrate
 
* molecular weight:
 
* molecular weight:
−
** 224.216    
+
** 189.101    
 
* Synonym(s):
 
* Synonym(s):
−
** L-3-hydroxykynurenine
+
** D-threo-isocitrate
−
** 3-hydroxy-kynurenine
+
** (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 consume the compound ==
 +
* [[biomass_rxn]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[KYNURENINE-3-MONOOXYGENASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-10721]]
+
* [[ACONITATEHYDR-RXN]]
 +
* [[ISOCITDEH-RXN]]
 +
* [[RXN-14047]]
 +
* [[ISOCIT-CLEAV-RXN]]
 +
* [[RXN-9951]]
 
== External links  ==
 
== External links  ==
−
* CAS : 606-14-4
+
* CAS : 320-77-4
 +
* CAS : 30810-51-6
 +
* BIGG : 34579
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=49791998 49791998]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459771 5459771]
−
* HMDB : HMDB11631
+
* KNAPSACK : C00001188
 +
* HMDB : HMDB01874
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C02794 C02794]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00451 C00451]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.4573553.html 4573553]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58125 58125]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15562 15562]
−
* METABOLIGHTS : MTBLC58125
+
* METABOLIGHTS : MTBLC15562
−
{{#set: smiles=C([O-])(=O)C([N+])CC(=O)C1(=C(N)C(O)=CC=C1)}}
+
{{#set: smiles=C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-]}}
−
{{#set: inchi key=InChIKey=VCKPUUFAIGNJHC-LURJTMIESA-N}}
+
{{#set: inchi key=InChIKey=ODBLHEXUDAPZAU-ZAFYKAAXSA-K}}
−
{{#set: common name=3-hydroxy-L-kynurenine}}
+
{{#set: common name=D-threo-isocitrate}}
−
{{#set: molecular weight=224.216   }}
+
{{#set: molecular weight=189.101   }}
−
{{#set: common name=L-3-hydroxykynurenine|3-hydroxy-kynurenine}}
+
{{#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: produced by=KYNURENINE-3-MONOOXYGENASE-RXN}}
+
{{#set: consumed by=biomass_rxn}}
−
{{#set: reversible reaction associated=RXN-10721}}
+
{{#set: reversible reaction associated=ACONITATEHYDR-RXN|ISOCITDEH-RXN|RXN-14047|ISOCIT-CLEAV-RXN|RXN-9951}}

Revision as of 14:53, 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.




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