Difference between revisions of "CPD-7032"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THZ THZ] == * smiles: ** CC1(N=CSC(CCO)=1) * common name: ** 5-(2-hydroxyethyl)-4-methylthiazol...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7032 CPD-7032] == * smiles: ** CC(CCO)C * common name: ** 3-methylbutanol * inchi key: ** I...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THZ THZ] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7032 CPD-7032] ==
 
* smiles:
 
* smiles:
** CC1(N=CSC(CCO)=1)
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** CC(CCO)C
 
* common name:
 
* common name:
** 5-(2-hydroxyethyl)-4-methylthiazole
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** 3-methylbutanol
 
* inchi key:
 
* inchi key:
** InChIKey=BKAWJIRCKVUVED-UHFFFAOYSA-N
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** InChIKey=PHTQWCKDNZKARW-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
** 143.203    
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** 88.149    
 
* Synonym(s):
 
* Synonym(s):
** 4-methyl-5-(2-hydroxyethyl)-thiazole
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** isoamyl alcohol
** THZ
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** isopentanol
** 4-methyl-5-(β-hydroxyethyl)thiazole
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** HET
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[THIAZOLSYN3-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-7693]]
 
== External links  ==
 
== External links  ==
* CAS : 137-00-8
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* DRUGBANK : DB02296
* BIGG : 4mhetz
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* DRUGBANK : DB02969
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* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1136 1136]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=31260 31260]
* HMDB : HMDB32985
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* HMDB : HMDB06007
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C04294 C04294]
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** [http://www.genome.jp/dbget-bin/www_bget?C07328 C07328]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.1104.html 1104]
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** [http://www.chemspider.com/Chemical-Structure.13500715.html 13500715]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17957 17957]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15837 15837]
* METABOLIGHTS : MTBLC17957
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{{#set: smiles=CC(CCO)C}}
{{#set: smiles=CC1(N=CSC(CCO)=1)}}
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{{#set: common name=3-methylbutanol}}
{{#set: common name=5-(2-hydroxyethyl)-4-methylthiazole}}
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{{#set: inchi key=InChIKey=PHTQWCKDNZKARW-UHFFFAOYSA-N}}
{{#set: inchi key=InChIKey=BKAWJIRCKVUVED-UHFFFAOYSA-N}}
+
{{#set: molecular weight=88.149   }}
{{#set: molecular weight=143.203   }}
+
{{#set: common name=isoamyl alcohol|isopentanol}}
{{#set: common name=4-methyl-5-(2-hydroxyethyl)-thiazole|THZ|4-methyl-5-(β-hydroxyethyl)thiazole|HET}}
+
{{#set: reversible reaction associated=RXN-7693}}
{{#set: consumed by=THIAZOLSYN3-RXN}}
+

Latest revision as of 19:55, 21 March 2018

Metabolite CPD-7032

  • smiles:
    • CC(CCO)C
  • common name:
    • 3-methylbutanol
  • inchi key:
    • InChIKey=PHTQWCKDNZKARW-UHFFFAOYSA-N
  • molecular weight:
    • 88.149
  • Synonym(s):
    • isoamyl alcohol
    • isopentanol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links