Difference between revisions of "DI-H-OROTATE"

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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) * inchi key: ** InChIKey=BKAWJIRCKVUVED-UHFFFAOYSA-N...")
 
 
(3 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THZ THZ] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DI-H-OROTATE DI-H-OROTATE] ==
 
* smiles:
 
* smiles:
** CC1(N=CSC(CCO)=1)
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** C1(C(=O)NC(=O)NC(C(=O)[O-])1)
 +
* molecular weight:
 +
** 157.105   
 
* inchi key:
 
* inchi key:
** InChIKey=BKAWJIRCKVUVED-UHFFFAOYSA-N
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** InChIKey=UFIVEPVSAGBUSI-REOHCLBHSA-M
 
* common name:
 
* common name:
** 5-(2-hydroxyethyl)-4-methylthiazole
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** (S)-dihydroorotate
* molecular weight:
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** 143.203   
+
 
* Synonym(s):
 
* Synonym(s):
** 4-methyl-5-(2-hydroxyethyl)-thiazole
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** dihydro-L-orotate
** THZ
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** (S)-4,5-dihydroorotate
** 4-methyl-5-(β-hydroxyethyl)thiazole
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** (S)-4,5-dihydroorotic acid
** HET
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** (S)-hydroorotic acid
 +
** (S)-di-H-orotate
 +
** L-dihydroorotate
 +
** 4,5-dihydro-L-orotate
 +
** L-4,5-dihydroorotate
 +
** (S)-4-pyrimidinecarboxylic acid
  
 
== 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 ==
 +
* [[DIHYDROOROT-RXN]]
 
== External links  ==
 
== External links  ==
* CAS : 137-00-8
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* METABOLIGHTS : MTBLC30864
* METABOLIGHTS : MTBLC17957
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* BIGG : dhor__S
* DRUGBANK : DB02969
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* CAS : 5988-19-2
* PUBCHEM:
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* CAS : 155-54-4
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1136 1136]
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* HMDB : HMDB00528
* HMDB : HMDB32985
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C04294 C04294]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.1104.html 1104]
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** [http://www.chemspider.com/Chemical-Structure.4573876.html 4573876]
 
* 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=30864 30864]
* BIGG : 4mhetz
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* LIGAND-CPD:
{{#set: smiles=CC1(N=CSC(CCO)=1)}}
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** [http://www.genome.jp/dbget-bin/www_bget?C00337 C00337]
{{#set: inchi key=InChIKey=BKAWJIRCKVUVED-UHFFFAOYSA-N}}
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* PUBCHEM:
{{#set: common name=5-(2-hydroxyethyl)-4-methylthiazole}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460289 5460289]
{{#set: molecular weight=143.203    }}
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{{#set: smiles=C1(C(=O)NC(=O)NC(C(=O)[O-])1)}}
{{#set: common name=4-methyl-5-(2-hydroxyethyl)-thiazole|THZ|4-methyl-5-(β-hydroxyethyl)thiazole|HET}}
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{{#set: molecular weight=157.105    }}
{{#set: consumed by=THIAZOLSYN3-RXN}}
+
{{#set: inchi key=InChIKey=UFIVEPVSAGBUSI-REOHCLBHSA-M}}
 +
{{#set: common name=(S)-dihydroorotate}}
 +
{{#set: common name=dihydro-L-orotate|(S)-4,5-dihydroorotate|(S)-4,5-dihydroorotic acid|(S)-hydroorotic acid|(S)-di-H-orotate|L-dihydroorotate|4,5-dihydro-L-orotate|L-4,5-dihydroorotate|(S)-4-pyrimidinecarboxylic acid}}
 +
{{#set: reversible reaction associated=DIHYDROOROT-RXN}}

Latest revision as of 16:55, 9 January 2019

Metabolite DI-H-OROTATE

  • smiles:
    • C1(C(=O)NC(=O)NC(C(=O)[O-])1)
  • molecular weight:
    • 157.105
  • inchi key:
    • InChIKey=UFIVEPVSAGBUSI-REOHCLBHSA-M
  • common name:
    • (S)-dihydroorotate
  • Synonym(s):
    • dihydro-L-orotate
    • (S)-4,5-dihydroorotate
    • (S)-4,5-dihydroorotic acid
    • (S)-hydroorotic acid
    • (S)-di-H-orotate
    • L-dihydroorotate
    • 4,5-dihydro-L-orotate
    • L-4,5-dihydroorotate
    • (S)-4-pyrimidinecarboxylic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • METABOLIGHTS : MTBLC30864
  • BIGG : dhor__S
  • CAS : 5988-19-2
  • CAS : 155-54-4
  • HMDB : HMDB00528
  • CHEMSPIDER:
  • CHEBI:
  • LIGAND-CPD:
  • PUBCHEM:
"C1(C(=O)NC(=O)NC(C(=O)[O-])1)" cannot be used as a page name in this wiki.