Difference between revisions of "3-DEHYDRO-SHIKIMATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-CARBOXY-3-HYDROXY-ISOCAPROATE 3-CARBOXY-3-HYDROXY-ISOCAPROATE] == * smiles: ** CC(C(O)(CC(=O)...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-DEHYDRO-SHIKIMATE 3-DEHYDRO-SHIKIMATE] == * smiles: ** C([O-])(=O)C1(=CC(=O)C(O)C(O)C1) * inc...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-CARBOXY-3-HYDROXY-ISOCAPROATE 3-CARBOXY-3-HYDROXY-ISOCAPROATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-DEHYDRO-SHIKIMATE 3-DEHYDRO-SHIKIMATE] ==
 
* smiles:
 
* smiles:
−
** CC(C(O)(CC(=O)[O-])C([O-])=O)C
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** C([O-])(=O)C1(=CC(=O)C(O)C(O)C1)
 
* inchi key:
 
* inchi key:
−
** InChIKey=BITYXLXUCSKTJS-UHFFFAOYSA-L
+
** InChIKey=SLWWJZMPHJJOPH-PHDIDXHHSA-M
 
* common name:
 
* common name:
−
** (2S)-2-isopropylmalate
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** 3-dehydroshikimate
 
* molecular weight:
 
* molecular weight:
−
** 174.153    
+
** 171.129    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-hydroxy-4-methyl-3-carboxypentanoate
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** 3-dehydroshikimic acid
−
** 3-carboxy-3-hydroxy-4-methylpentanoate
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** 5-dehydroshikimic acid
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** 3-carboxy-3-hydroxy-isocaproate
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** 5-dehydroshikimate
−
** α-isopropylmalate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[SHIKIMATE-5-DEHYDROGENASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[2-ISOPROPYLMALATESYN-RXN]]
+
* [[RXN-7968]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[3-ISOPROPYLMALISOM-RXN]]
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* [[3-DEHYDROQUINATE-DEHYDRATASE-RXN]]
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* [[RXN-13163]]
+
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6419726 6419726]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460360 5460360]
−
* HMDB : HMDB00402
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−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C02504 C02504]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.4925359.html 4925359]
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** [http://www.chemspider.com/Chemical-Structure.4573915.html 4573915]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28107 28107]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16630 16630]
−
* BIGG : 39972
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* BIGG : 40260
−
{{#set: smiles=CC(C(O)(CC(=O)[O-])C([O-])=O)C}}
+
* LIGAND-CPD:
−
{{#set: inchi key=InChIKey=BITYXLXUCSKTJS-UHFFFAOYSA-L}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C02637 C02637]
−
{{#set: common name=(2S)-2-isopropylmalate}}
+
{{#set: smiles=C([O-])(=O)C1(=CC(=O)C(O)C(O)C1)}}
−
{{#set: molecular weight=174.153   }}
+
{{#set: inchi key=InChIKey=SLWWJZMPHJJOPH-PHDIDXHHSA-M}}
−
{{#set: common name=3-hydroxy-4-methyl-3-carboxypentanoate|3-carboxy-3-hydroxy-4-methylpentanoate|3-carboxy-3-hydroxy-isocaproate|α-isopropylmalate}}
+
{{#set: common name=3-dehydroshikimate}}
−
{{#set: produced by=2-ISOPROPYLMALATESYN-RXN}}
+
{{#set: molecular weight=171.129   }}
−
{{#set: reversible reaction associated=3-ISOPROPYLMALISOM-RXN|RXN-13163}}
+
{{#set: common name=3-dehydroshikimic acid|5-dehydroshikimic acid|5-dehydroshikimate}}
 +
{{#set: consumed by=SHIKIMATE-5-DEHYDROGENASE-RXN}}
 +
{{#set: produced by=RXN-7968}}
 +
{{#set: reversible reaction associated=3-DEHYDROQUINATE-DEHYDRATASE-RXN}}

Latest revision as of 19:24, 21 March 2018

Metabolite 3-DEHYDRO-SHIKIMATE

  • smiles:
    • C([O-])(=O)C1(=CC(=O)C(O)C(O)C1)
  • inchi key:
    • InChIKey=SLWWJZMPHJJOPH-PHDIDXHHSA-M
  • common name:
    • 3-dehydroshikimate
  • molecular weight:
    • 171.129
  • Synonym(s):
    • 3-dehydroshikimic acid
    • 5-dehydroshikimic acid
    • 5-dehydroshikimate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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




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