Difference between revisions of "HOMO-I-CIT"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9557 RXN-9557] == * direction: ** LEFT-TO-RIGHT * common name: ** 3-hydroxy-cis-vaccenoyl-[acyl...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMO-I-CIT HOMO-I-CIT] == * smiles: ** C(CC(=O)[O-])C(C(=O)[O-])C(O)C(=O)[O-] * inchi key: ** I...")
 
Line 1: Line 1:
−
[[Category:Reaction]]
+
[[Category:Metabolite]]
−
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9557 RXN-9557] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMO-I-CIT HOMO-I-CIT] ==
−
* direction:
+
* smiles:
−
** LEFT-TO-RIGHT
+
** C(CC(=O)[O-])C(C(=O)[O-])C(O)C(=O)[O-]
 +
* inchi key:
 +
** InChIKey=OEJZZCGRGVFWHK-WVZVXSGGSA-K
 
* common name:
 
* common name:
−
** 3-hydroxy-cis-vaccenoyl-[acyl-carrier protein] dehydratase
+
** (1R,2S)-homoisocitrate
−
* ec number:
+
* molecular weight:
−
** [http://enzyme.expasy.org/EC/4.2.1.59 EC-4.2.1.59]
+
** 203.128   
 
* Synonym(s):
 
* Synonym(s):
 +
** (-)-threo-isohomocitrate
 +
** (-)-1-hydroxy-1,2,4-butanetricarboxylate
 +
** homo-I-cit
 +
** 1-hydroxy-1,2,4-butanetricarboxylate
 +
** 2-hydroxy-3-carboxyadipate
 +
** homo-iso-citrate
 +
** 1-(R)-hydroxy-2-(S)-1,2,4-butanetricarboxylic acid
 +
** 1-hydroxybutane-1,2,4-tricarboxylate
 +
** (1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate
 +
** homoisocitrate
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
== Reaction(s) known to produce the compound ==
−
** 1 [[R-3-hydroxy-cis-vaccenoyl-ACPs]][c] '''=>''' 1 [[WATER]][c] '''+''' 1 [[cis-vaccen-2-enoyl-ACPs]][c]
+
* [[HOMOACONITATE-HYDRATASE-RXN]]
−
* With common name(s):
+
== Reaction(s) of unknown directionality ==
−
** 1 (R)-3-hydroxy-cis-vacc-11-enoyl-[acp][c] '''=>''' 1 H2O[c] '''+''' 1 a (2-trans-11-cis)-vaccen-2-enoyl-[acp][c]
+
* [[RXN-13722]]
−
 
+
−
== Genes associated with this reaction  ==
+
−
== Pathways  ==
+
−
* [[PWY-5973]], cis-vaccenate biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5973 PWY-5973]
+
−
** '''5''' reactions found over '''5''' reactions in the full pathway
+
−
== Reconstruction information  ==
+
−
* Category: [[gap-filling]]
+
−
** Source: [[gap-filling-gapfilling_solution_with_meneco_draft_medium]]
+
−
*** Tool: [[meneco]]
+
−
**** Comment: [[added for gapfilling]]
+
 
== External links  ==
 
== External links  ==
−
{{#set: direction=LEFT-TO-RIGHT}}
+
* PUBCHEM:
−
{{#set: common name=3-hydroxy-cis-vaccenoyl-[acyl-carrier protein] dehydratase}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459812 5459812]
−
{{#set: ec number=EC-4.2.1.59}}
+
* CHEMSPIDER:
−
{{#set: in pathway=PWY-5973}}
+
** [http://www.chemspider.com/Chemical-Structure.4573580.html 4573580]
−
{{#set: reconstruction category=gap-filling}}
+
* CHEBI:
−
{{#set: reconstruction source=gap-filling-gapfilling_solution_with_meneco_draft_medium}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15404 15404]
−
{{#set: reconstruction tool=meneco}}
+
* LIGAND-CPD:
−
{{#set: reconstruction comment=added for gapfilling}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05662 C05662]
 +
{{#set: smiles=C(CC(=O)[O-])C(C(=O)[O-])C(O)C(=O)[O-]}}
 +
{{#set: inchi key=InChIKey=OEJZZCGRGVFWHK-WVZVXSGGSA-K}}
 +
{{#set: common name=(1R,2S)-homoisocitrate}}
 +
{{#set: molecular weight=203.128    }}
 +
{{#set: common name=(-)-threo-isohomocitrate|(-)-1-hydroxy-1,2,4-butanetricarboxylate|homo-I-cit|1-hydroxy-1,2,4-butanetricarboxylate|2-hydroxy-3-carboxyadipate|homo-iso-citrate|1-(R)-hydroxy-2-(S)-1,2,4-butanetricarboxylic acid|1-hydroxybutane-1,2,4-tricarboxylate|(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate|homoisocitrate}}
 +
{{#set: produced by=HOMOACONITATE-HYDRATASE-RXN}}
 +
{{#set: reversible reaction associated=RXN-13722}}

Latest revision as of 19:54, 21 March 2018

Metabolite HOMO-I-CIT

  • smiles:
    • C(CC(=O)[O-])C(C(=O)[O-])C(O)C(=O)[O-]
  • inchi key:
    • InChIKey=OEJZZCGRGVFWHK-WVZVXSGGSA-K
  • common name:
    • (1R,2S)-homoisocitrate
  • molecular weight:
    • 203.128
  • Synonym(s):
    • (-)-threo-isohomocitrate
    • (-)-1-hydroxy-1,2,4-butanetricarboxylate
    • homo-I-cit
    • 1-hydroxy-1,2,4-butanetricarboxylate
    • 2-hydroxy-3-carboxyadipate
    • homo-iso-citrate
    • 1-(R)-hydroxy-2-(S)-1,2,4-butanetricarboxylic acid
    • 1-hydroxybutane-1,2,4-tricarboxylate
    • (1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate
    • homoisocitrate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(CC(=O)[O-])C(C(=O)[O-])C(O)C(=O)[O-" cannot be used as a page name in this wiki.




Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=HOMO-I-CIT&oldid=30202"