Difference between revisions of "CPD-13122"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-13163 RXN-13163] == * direction: ** REVERSIBLE * common name: ** Aconitase/3-isopropylmalate de...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13122 CPD-13122] == * smiles: ** C(C1(OC(C(C(C=1)O)O)O))([O-])=O * inchi key: ** InChIKey=I...")
 
(2 intermediate revisions by the same user not shown)
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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-13163 RXN-13163] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13122 CPD-13122] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** C(C1(OC(C(C(C=1)O)O)O))([O-])=O
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* inchi key:
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** InChIKey=IAKKJSVSFCTLRY-BAKTXGBYSA-M
 
* common name:
 
* common name:
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** Aconitase/3-isopropylmalate dehydratase, swivel
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** 4-deoxy-L-threo-hex-4-enopyranuronate
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* ec number:
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* molecular weight:
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** [http://enzyme.expasy.org/EC/4.2.1.33 EC-4.2.1.33]
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** 175.118   
 
* Synonym(s):
 
* Synonym(s):
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** (3R,4S)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
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** 4-deoxy-L-threo-5-hexosulose-uronic acid
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** 4-deoxy-L-threo-5-hexosulose-uronate
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** 4-deoxy-L-threo-hex-4-enopyranuronate
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** 4-deoxy-β-L-threo-hex-4-enopyranuronose
  
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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 [[2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE]][c] '''<=>''' 1 [[3-CARBOXY-3-HYDROXY-ISOCAPROATE]][c]
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* [[RXN-12178]]
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* With common name(s):
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* [[RXN-12270]]
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** 1 (2R,3S)-3-isopropylmalate[c] '''<=>''' 1 (2S)-2-isopropylmalate[c]
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== Reaction(s) of unknown directionality ==
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* [[RXN-16475]]
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== Genes associated with this reaction  ==
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Genes have been associated with this reaction based on different elements listed below.
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* [[Ec-12_000170]]
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** ESILICULOSUS_GENOME
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***EC-NUMBER
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== Pathways  ==
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== Reconstruction information  ==
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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[esiliculosus_genome]]
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== External links  ==
 
== External links  ==
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{{#set: direction=REVERSIBLE}}
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* PUBCHEM:
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{{#set: common name=Aconitase/3-isopropylmalate dehydratase, swivel}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91819971 91819971]
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{{#set: ec number=EC-4.2.1.33}}
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* CHEBI:
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{{#set: gene associated=Ec-12_000170}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62482 62482]
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{{#set: in pathway=}}
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{{#set: smiles=C(C1(OC(C(C(C=1)O)O)O))([O-])=O}}
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{{#set: reconstruction category=annotation}}
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{{#set: inchi key=InChIKey=IAKKJSVSFCTLRY-BAKTXGBYSA-M}}
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{{#set: reconstruction tool=pathwaytools}}
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{{#set: common name=4-deoxy-L-threo-hex-4-enopyranuronate}}
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{{#set: reconstruction source=esiliculosus_genome}}
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{{#set: molecular weight=175.118    }}
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{{#set: common name=(3R,4S)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid|4-deoxy-L-threo-5-hexosulose-uronic acid|4-deoxy-L-threo-5-hexosulose-uronate|4-deoxy-L-threo-hex-4-enopyranuronate|4-deoxy-&beta;-L-threo-hex-4-enopyranuronose}}
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{{#set: produced by=RXN-12178|RXN-12270}}
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{{#set: reversible reaction associated=RXN-16475}}

Latest revision as of 19:02, 21 March 2018

Metabolite CPD-13122

  • smiles:
    • C(C1(OC(C(C(C=1)O)O)O))([O-])=O
  • inchi key:
    • InChIKey=IAKKJSVSFCTLRY-BAKTXGBYSA-M
  • common name:
    • 4-deoxy-L-threo-hex-4-enopyranuronate
  • molecular weight:
    • 175.118
  • Synonym(s):
    • (3R,4S)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
    • 4-deoxy-L-threo-5-hexosulose-uronic acid
    • 4-deoxy-L-threo-5-hexosulose-uronate
    • 4-deoxy-L-threo-hex-4-enopyranuronate
    • 4-deoxy-β-L-threo-hex-4-enopyranuronose

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(C1(OC(C(C(C=1)O)O)O))([O-])=O" cannot be used as a page name in this wiki.




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