Difference between revisions of "HOMO-I-CIT"

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

Latest revision as of 20:54, 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.




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