Difference between revisions of "CPD-7032"

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

Revision as of 15:36, 21 March 2018

Metabolite THZ

  • smiles:
    • CC1(N=CSC(CCO)=1)
  • common name:
    • 5-(2-hydroxyethyl)-4-methylthiazole
  • inchi key:
    • InChIKey=BKAWJIRCKVUVED-UHFFFAOYSA-N
  • molecular weight:
    • 143.203
  • Synonym(s):
    • 4-methyl-5-(2-hydroxyethyl)-thiazole
    • THZ
    • 4-methyl-5-(β-hydroxyethyl)thiazole
    • HET

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 137-00-8
  • BIGG : 4mhetz
  • DRUGBANK : DB02969
  • PUBCHEM:
  • HMDB : HMDB32985
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC17957