Difference between revisions of "CPD-375"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHOSPHORYL-CHOLINE PHOSPHORYL-CHOLINE] == * smiles: ** C[N+](CCOP([O-])([O-])=O)(C)C * inchi ke...")
(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...")
 
(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=PHOSPHORYL-CHOLINE PHOSPHORYL-CHOLINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-375 CPD-375] ==
 
* smiles:
 
* smiles:
** C[N+](CCOP([O-])([O-])=O)(C)C
+
** CC1(=C(C2(=C(C=N1)COC2=O))O)
* inchi key:
+
** InChIKey=YHHSONZFOIEMCP-UHFFFAOYSA-M
+
 
* common name:
 
* common name:
** phosphocholine
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** 4-pyridoxolactone
 +
* inchi key:
 +
** InChIKey=HHPDVQLBYQFYFA-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
** 182.136    
+
** 165.148    
 
* Synonym(s):
 
* Synonym(s):
** choline-phosphate
 
** phosphoryl-choline
 
** O-phosphocholine
 
  
 
== 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 ==
* [[SPHINGOMYELIN-PHOSPHODIESTERASE-RXN]]
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* [[PYRIDOXAL-4-DEHYDROGENASE-RXN]]
* [[RXN-15212]]
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* [[CHOLINE-KINASE-RXN]]
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== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 107-73-3
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3330960 3330960]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=151228 151228]
* HMDB : HMDB01565
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00588 C00588]
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* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.2578067.html 2578067]
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** [http://www.chemspider.com/Chemical-Structure.133287.html 133287]
 +
* HMDB : HMDB03454
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=295975 295975]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16871 16871]
* METABOLIGHTS : MTBLC295975
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* LIGAND-CPD:
{{#set: smiles=C[N+](CCOP([O-])([O-])=O)(C)C}}
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** [http://www.genome.jp/dbget-bin/www_bget?C00971 C00971]
{{#set: inchi key=InChIKey=YHHSONZFOIEMCP-UHFFFAOYSA-M}}
+
{{#set: smiles=CC1(=C(C2(=C(C=N1)COC2=O))O)}}
{{#set: common name=phosphocholine}}
+
{{#set: common name=4-pyridoxolactone}}
{{#set: molecular weight=182.136   }}
+
{{#set: inchi key=InChIKey=HHPDVQLBYQFYFA-UHFFFAOYSA-N}}
{{#set: common name=choline-phosphate|phosphoryl-choline|O-phosphocholine}}
+
{{#set: molecular weight=165.148   }}
{{#set: produced by=SPHINGOMYELIN-PHOSPHODIESTERASE-RXN|RXN-15212|CHOLINE-KINASE-RXN}}
+
{{#set: produced by=PYRIDOXAL-4-DEHYDROGENASE-RXN}}

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