Difference between revisions of "CPD-15900"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-375 CPD-375] == * smiles: ** CC1(=C(C2(=C(C=N1)COC2=O))O) * common name: ** 4-pyridoxolacto...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15900 CPD-15900] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(C(O)CCCC1=O))COP(=O)(OP...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-375 CPD-375] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15900 CPD-15900] ==
 
* smiles:
 
* smiles:
** CC1(=C(C2(=C(C=N1)COC2=O))O)
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** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(C(O)CCCC1=O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
 
* common name:
 
* common name:
** 4-pyridoxolactone
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** 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA
 
* inchi key:
 
* inchi key:
** InChIKey=HHPDVQLBYQFYFA-UHFFFAOYSA-N
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** InChIKey=XUJOIUADEGVEIA-SOAMHPODSA-J
 
* molecular weight:
 
* molecular weight:
** 165.148    
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** 903.641    
 
* Synonym(s):
 
* Synonym(s):
  
 
== 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 ==
* [[PYRIDOXAL-4-DEHYDROGENASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-15013]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=151228 151228]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72551544 72551544]
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.133287.html 133287]
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* HMDB : HMDB03454
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16871 16871]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76527 76527]
* LIGAND-CPD:
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{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(C(O)CCCC1=O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}}
** [http://www.genome.jp/dbget-bin/www_bget?C00971 C00971]
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{{#set: common name=2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA}}
{{#set: smiles=CC1(=C(C2(=C(C=N1)COC2=O))O)}}
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{{#set: inchi key=InChIKey=XUJOIUADEGVEIA-SOAMHPODSA-J}}
{{#set: common name=4-pyridoxolactone}}
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{{#set: molecular weight=903.641   }}
{{#set: inchi key=InChIKey=HHPDVQLBYQFYFA-UHFFFAOYSA-N}}
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{{#set: reversible reaction associated=RXN-15013}}
{{#set: molecular weight=165.148   }}
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{{#set: produced by=PYRIDOXAL-4-DEHYDROGENASE-RXN}}
+

Latest revision as of 20:14, 21 March 2018

Metabolite CPD-15900

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(C(O)CCCC1=O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
  • common name:
    • 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA
  • inchi key:
    • InChIKey=XUJOIUADEGVEIA-SOAMHPODSA-J
  • molecular weight:
    • 903.641
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(C(O)CCCC1=O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-" cannot be used as a page name in this wiki.