Difference between revisions of "THYMINE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15675 CPD-15675] == * smiles: ** CCCCCCC=CCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THYMINE THYMINE] == * smiles: ** CC1(C(=O)NC(NC=1)=O) * common name: ** thymine * inchi key: **...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15675 CPD-15675] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THYMINE THYMINE] ==
 
* smiles:
 
* smiles:
−
** CCCCCCC=CCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
+
** CC1(C(=O)NC(NC=1)=O)
−
* inchi key:
+
−
** InChIKey=OOSDLBAXVXKFIB-BJBRNGJVSA-J
+
 
* common name:
 
* common name:
−
** 2-trans-6-trans-tridecadienoyl-CoA
+
** thymine
 +
* inchi key:
 +
** InChIKey=RWQNBRDOKXIBIV-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 955.803    
+
** 126.115    
 
* Synonym(s):
 
* Synonym(s):
−
** 2E, 6E-tridecadienoyl-CoA
+
** 5-methyluracil
 +
** 5-methyl-2,4(1H,3H)-pyrimidinedione
 +
** T
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-14785]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[THYM-PHOSPH-RXN]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 65-71-4
 +
* BIGG : thym
 +
* DRUGBANK : DB03462
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658431 90658431]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1135 1135]
−
{{#set: smiles=CCCCCCC=CCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
+
* HMDB : HMDB00262
−
{{#set: inchi key=InChIKey=OOSDLBAXVXKFIB-BJBRNGJVSA-J}}
+
* LIGAND-CPD:
−
{{#set: common name=2-trans-6-trans-tridecadienoyl-CoA}}
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** [http://www.genome.jp/dbget-bin/www_bget?C00178 C00178]
−
{{#set: molecular weight=955.803   }}
+
* CHEMSPIDER:
−
{{#set: common name=2E, 6E-tridecadienoyl-CoA}}
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** [http://www.chemspider.com/Chemical-Structure.1103.html 1103]
−
{{#set: produced by=RXN-14785}}
+
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17821 17821]
 +
* METABOLIGHTS : MTBLC17821
 +
{{#set: smiles=CC1(C(=O)NC(NC=1)=O)}}
 +
{{#set: common name=thymine}}
 +
{{#set: inchi key=InChIKey=RWQNBRDOKXIBIV-UHFFFAOYSA-N}}
 +
{{#set: molecular weight=126.115   }}
 +
{{#set: common name=5-methyluracil|5-methyl-2,4(1H,3H)-pyrimidinedione|T}}
 +
{{#set: reversible reaction associated=THYM-PHOSPH-RXN}}

Latest revision as of 21:06, 21 March 2018

Metabolite THYMINE

  • smiles:
    • CC1(C(=O)NC(NC=1)=O)
  • common name:
    • thymine
  • inchi key:
    • InChIKey=RWQNBRDOKXIBIV-UHFFFAOYSA-N
  • molecular weight:
    • 126.115
  • Synonym(s):
    • 5-methyluracil
    • 5-methyl-2,4(1H,3H)-pyrimidinedione
    • T

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 65-71-4
  • BIGG : thym
  • DRUGBANK : DB03462
  • PUBCHEM:
  • HMDB : HMDB00262
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC17821




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