Difference between revisions of "CPD-8892"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4184 CPD-4184] == * smiles: ** CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)C(O)...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THZ THZ] == * smiles: ** CC1(N=CSC(CCO)=1) * inchi key: ** InChIKey=BKAWJIRCKVUVED-UHFFFAOYSA-N...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4184 CPD-4184] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THZ THZ] ==
 
* smiles:
 
* smiles:
** CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)C(O)CC3)))CC4)))C
+
** CC1(N=CSC(CCO)=1)
 
* inchi key:
 
* inchi key:
** InChIKey=SCEZIHJVTBQOLS-YIJYGBTNSA-N
+
** InChIKey=BKAWJIRCKVUVED-UHFFFAOYSA-N
 
* common name:
 
* common name:
** 4α-methyl-cholesta-8-enol
+
** 5-(2-hydroxyethyl)-4-methylthiazole
 
* molecular weight:
 
* molecular weight:
** 400.687    
+
** 143.203    
 
* Synonym(s):
 
* 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 consume the compound ==
* [[RXN-13710]]
+
* [[THIAZOLSYN3-RXN]]
* [[RXN66-20]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 137-00-8
 +
* METABOLIGHTS : MTBLC17957
 +
* DRUGBANK : DB02969
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6452640 6452640]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1136 1136]
* CHEBI:
+
* HMDB : HMDB32985
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28432 28432]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C05110 C05110]
+
** [http://www.genome.jp/dbget-bin/www_bget?C04294 C04294]
{{#set: smiles=CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)C(O)CC3)))CC4)))C}}
+
* CHEMSPIDER:
{{#set: inchi key=InChIKey=SCEZIHJVTBQOLS-YIJYGBTNSA-N}}
+
** [http://www.chemspider.com/Chemical-Structure.1104.html 1104]
{{#set: common name=4α-methyl-cholesta-8-enol}}
+
* CHEBI:
{{#set: molecular weight=400.687   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17957 17957]
{{#set: consumed by=RXN-13710|RXN66-20}}
+
* BIGG : 4mhetz
 +
{{#set: smiles=CC1(N=CSC(CCO)=1)}}
 +
{{#set: inchi key=InChIKey=BKAWJIRCKVUVED-UHFFFAOYSA-N}}
 +
{{#set: common name=5-(2-hydroxyethyl)-4-methylthiazole}}
 +
{{#set: molecular weight=143.203   }}
 +
{{#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 11:29, 18 January 2018

Metabolite THZ

  • smiles:
    • CC1(N=CSC(CCO)=1)
  • inchi key:
    • InChIKey=BKAWJIRCKVUVED-UHFFFAOYSA-N
  • common name:
    • 5-(2-hydroxyethyl)-4-methylthiazole
  • 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
  • METABOLIGHTS : MTBLC17957
  • DRUGBANK : DB02969
  • PUBCHEM:
  • HMDB : HMDB32985
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : 4mhetz