Difference between revisions of "CPD-15435"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THYMINE THYMINE] == * smiles: ** CC1(C(=O)NC(NC=1)=O) * inchi key: ** InChIKey=RWQNBRDOKXIBIV-U...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15435 CPD-15435] == * smiles: ** CC(O)C(C([O-])=O)NC(=O)OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)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=THYMINE THYMINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15435 CPD-15435] ==
 
* smiles:
 
* smiles:
** CC1(C(=O)NC(NC=1)=O)
+
** CC(O)C(C([O-])=O)NC(=O)OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O
* inchi key:
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** InChIKey=RWQNBRDOKXIBIV-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
** thymine
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** L-threonylcarbamoyladenylate
 +
* inchi key:
 +
** InChIKey=GHLUPQUHEIJRCU-DWVDDHQFSA-L
 
* molecular weight:
 
* molecular weight:
** 126.115    
+
** 490.322    
 
* Synonym(s):
 
* Synonym(s):
** 5-methyluracil
 
** 5-methyl-2,4(1H,3H)-pyrimidinedione
 
** T
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-14570]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[THYM-PHOSPH-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 65-71-4
 
* METABOLIGHTS : MTBLC17821
 
* DRUGBANK : DB03462
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1135 1135]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71464565 71464565]
* HMDB : HMDB00262
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00178 C00178]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.1103.html 1103]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17821 17821]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=73682 73682]
* BIGG : thym
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{{#set: smiles=CC(O)C(C([O-])=O)NC(=O)OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O}}
{{#set: smiles=CC1(C(=O)NC(NC=1)=O)}}
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{{#set: common name=L-threonylcarbamoyladenylate}}
{{#set: inchi key=InChIKey=RWQNBRDOKXIBIV-UHFFFAOYSA-N}}
+
{{#set: inchi key=InChIKey=GHLUPQUHEIJRCU-DWVDDHQFSA-L}}
{{#set: common name=thymine}}
+
{{#set: molecular weight=490.322   }}
{{#set: molecular weight=126.115   }}
+
{{#set: consumed by=RXN-14570}}
{{#set: common name=5-methyluracil|5-methyl-2,4(1H,3H)-pyrimidinedione|T}}
+
{{#set: consumed or produced by=THYM-PHOSPH-RXN}}
+

Latest revision as of 20:06, 21 March 2018

Metabolite CPD-15435

  • smiles:
    • CC(O)C(C([O-])=O)NC(=O)OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O
  • common name:
    • L-threonylcarbamoyladenylate
  • inchi key:
    • InChIKey=GHLUPQUHEIJRCU-DWVDDHQFSA-L
  • molecular weight:
    • 490.322
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(O)C(C([O-])=O)NC(=O)OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O" cannot be used as a page name in this wiki.