Difference between revisions of "CPD-375"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXYADIPYL-COA 3-HYDROXYADIPYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC(=O...")
(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...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXYADIPYL-COA 3-HYDROXYADIPYL-COA] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-375 CPD-375] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC(=O)[O-])O)=O)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-]
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** CC1(=C(C2(=C(C=N1)COC2=O))O)
−
* inchi key:
+
−
** InChIKey=OTEACGAEDCIMBS-NOTSHUFBSA-I
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* common name:
 
* common name:
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** (3S)-hydroxyadipyl-CoA
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** 4-pyridoxolactone
 +
* inchi key:
 +
** InChIKey=HHPDVQLBYQFYFA-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 906.621    
+
** 165.148    
 
* 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-2425]]
 
−
* [[RXN0-2044]]
 
−
* [[RXN0-6513]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=70679061 70679061]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=151228 151228]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.133287.html 133287]
 +
* HMDB : HMDB03454
 
* CHEBI:
 
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=70990 70990]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16871 16871]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C14145 C14145]
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** [http://www.genome.jp/dbget-bin/www_bget?C00971 C00971]
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* HMDB : HMDB12475
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{{#set: smiles=CC1(=C(C2(=C(C=N1)COC2=O))O)}}
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC(=O)[O-])O)=O)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-]}}
+
{{#set: common name=4-pyridoxolactone}}
−
{{#set: inchi key=InChIKey=OTEACGAEDCIMBS-NOTSHUFBSA-I}}
+
{{#set: inchi key=InChIKey=HHPDVQLBYQFYFA-UHFFFAOYSA-N}}
−
{{#set: common name=(3S)-hydroxyadipyl-CoA}}
+
{{#set: molecular weight=165.148   }}
−
{{#set: molecular weight=906.621   }}
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{{#set: produced by=PYRIDOXAL-4-DEHYDROGENASE-RXN}}
−
{{#set: reversible reaction associated=RXN-2425|RXN0-2044|RXN0-6513}}
+

Latest revision as of 20:13, 21 March 2018

Metabolite CPD-375

  • smiles:
    • CC1(=C(C2(=C(C=N1)COC2=O))O)
  • common name:
    • 4-pyridoxolactone
  • inchi key:
    • InChIKey=HHPDVQLBYQFYFA-UHFFFAOYSA-N
  • molecular weight:
    • 165.148
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links



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