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

From metabolic_network
Jump to: navigation, search
(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...")
(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=TRANS-3-METHYL-GLUTACONYL-COA TRANS-3-METHYL-GLUTACONYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THREO-DS-ISO-CITRATE THREO-DS-ISO-CITRATE] ==
 
* smiles:
 
* 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-]
+
** C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=GXKSHRDAHFLWPN-RKYLSHMCSA-I
+
** InChIKey=ODBLHEXUDAPZAU-ZAFYKAAXSA-K
 
* common name:
 
* common name:
−
** 3-methylglutaconyl-CoA
+
** D-threo-isocitrate
 
* molecular weight:
 
* molecular weight:
−
** 888.606    
+
** 189.101    
 
* Synonym(s):
 
* Synonym(s):
−
** trans-3-methylglutaconyl-CoA
+
** D-threo-isocitrate
−
** (E)-3-methylglutaconyl-1-CoA
+
** (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 ==
−
* [[METHYLCROTONYL-COA-CARBOXYLASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[METHYLGLUTACONYL-COA-HYDRATASE-RXN]]
+
* [[ACONITATEHYDR-RXN]]
 +
* [[ISOCITDEH-RXN]]
 +
* [[RXN-14047]]
 +
* [[ISOCIT-CLEAV-RXN]]
 +
* [[RXN-9951]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 320-77-4
 +
* CAS : 30810-51-6
 +
* BIGG : 34579
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657229 90657229]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459771 5459771]
−
* CHEBI:
+
* KNAPSACK : C00001188
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15488 15488]
+
* HMDB : HMDB01874
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C03231 C03231]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00451 C00451]
−
* HMDB : HMDB01057
+
* CHEMSPIDER:
−
{{#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-]}}
+
** [http://www.chemspider.com/Chemical-Structure.4573553.html 4573553]
−
{{#set: inchi key=InChIKey=GXKSHRDAHFLWPN-RKYLSHMCSA-I}}
+
* CHEBI:
−
{{#set: common name=3-methylglutaconyl-CoA}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15562 15562]
−
{{#set: molecular weight=888.606   }}
+
* METABOLIGHTS : MTBLC15562
−
{{#set: common name=trans-3-methylglutaconyl-CoA|(E)-3-methylglutaconyl-1-CoA}}
+
{{#set: smiles=C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-]}}
−
{{#set: produced by=METHYLCROTONYL-COA-CARBOXYLASE-RXN}}
+
{{#set: inchi key=InChIKey=ODBLHEXUDAPZAU-ZAFYKAAXSA-K}}
−
{{#set: reversible reaction associated=METHYLGLUTACONYL-COA-HYDRATASE-RXN}}
+
{{#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"