Difference between revisions of "CHOLINE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=N-ACETYL-5-METHOXY-TRYPTAMINE N-ACETYL-5-METHOXY-TRYPTAMINE] == * smiles: ** CC(=O)NCCC2(=CNC1(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CHOLINE CHOLINE] == * smiles: ** C(CO)[N+](C)(C)C * inchi key: ** InChIKey=OEYIOHPDSNJKLS-UHFFF...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=N-ACETYL-5-METHOXY-TRYPTAMINE N-ACETYL-5-METHOXY-TRYPTAMINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CHOLINE CHOLINE] ==
 
* smiles:
 
* smiles:
** CC(=O)NCCC2(=CNC1(=C(C=C(OC)C=C1)2))
+
** C(CO)[N+](C)(C)C
 
* inchi key:
 
* inchi key:
** InChIKey=DRLFMBDRBRZALE-UHFFFAOYSA-N
+
** InChIKey=OEYIOHPDSNJKLS-UHFFFAOYSA-N
 
* common name:
 
* common name:
** melatonin
+
** choline
 
* molecular weight:
 
* molecular weight:
** 232.282    
+
** 104.172    
 
* Synonym(s):
 
* Synonym(s):
** N-acetyl-5-methoxy-tryptamine
+
** (2-hydroxyethyl)trimethylammonium
** N-[2-(5-methoxyindol-3-yl)ethyl]acetamide
+
** 5-methoxy-N-acetyltryptamine
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-11057]]
+
* [[RXN0-7230]]
* [[RXN-11056]]
+
* [[CHOLINE-KINASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-17758]]
 +
* [[PHOSCHOL-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[CHD-RXN]]
 
== External links  ==
 
== External links  ==
* CAS : 73-31-4
+
* CAS : 62-49-7
* DRUGBANK : DB01065
+
* CAS : 123-41-1
 +
* Wikipedia : Choline
 +
* BIGG : 33910
 +
* DRUGBANK : DB00122
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=896 896]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=305 305]
* HMDB : HMDB01389
+
* HMDB : HMDB00097
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C01598 C01598]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00114 C00114]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.872.html 872]
+
** [http://www.chemspider.com/Chemical-Structure.299.html 299]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16796 16796]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15354 15354]
* METABOLIGHTS : MTBLC16796
+
* METABOLIGHTS : MTBLC15354
{{#set: smiles=CC(=O)NCCC2(=CNC1(=C(C=C(OC)C=C1)2))}}
+
{{#set: smiles=C(CO)[N+](C)(C)C}}
{{#set: inchi key=InChIKey=DRLFMBDRBRZALE-UHFFFAOYSA-N}}
+
{{#set: inchi key=InChIKey=OEYIOHPDSNJKLS-UHFFFAOYSA-N}}
{{#set: common name=melatonin}}
+
{{#set: common name=choline}}
{{#set: molecular weight=232.282   }}
+
{{#set: molecular weight=104.172   }}
{{#set: common name=N-acetyl-5-methoxy-tryptamine|N-[2-(5-methoxyindol-3-yl)ethyl]acetamide|5-methoxy-N-acetyltryptamine}}
+
{{#set: common name=(2-hydroxyethyl)trimethylammonium}}
{{#set: consumed by=RXN-11057|RXN-11056}}
+
{{#set: consumed by=RXN0-7230|CHOLINE-KINASE-RXN}}
 +
{{#set: produced by=RXN-17758|PHOSCHOL-RXN}}
 +
{{#set: reversible reaction associated=CHD-RXN}}

Latest revision as of 19:25, 21 March 2018

Metabolite CHOLINE

  • smiles:
    • C(CO)[N+](C)(C)C
  • inchi key:
    • InChIKey=OEYIOHPDSNJKLS-UHFFFAOYSA-N
  • common name:
    • choline
  • molecular weight:
    • 104.172
  • Synonym(s):
    • (2-hydroxyethyl)trimethylammonium

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 62-49-7
  • CAS : 123-41-1
  • Wikipedia : Choline
  • BIGG : 33910
  • DRUGBANK : DB00122
  • PUBCHEM:
  • HMDB : HMDB00097
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC15354
"C(CO)[N+](C)(C)C" cannot be used as a page name in this wiki.