Difference between revisions of "1.3.7.3-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ADENOSINE5TRIPHOSPHO5ADENOSINE ADENOSINE5TRIPHOSPHO5ADENOSINE] == * smiles: ** C(C3(C(C(C(N2(C1...")
(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...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ADENOSINE5TRIPHOSPHO5ADENOSINE ADENOSINE5TRIPHOSPHO5ADENOSINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CHOLINE CHOLINE] ==
 
* smiles:
 
* smiles:
−
** C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC6(C(C(C(N5(C4(=C(C(=NC=N4)N)N=C5)))O6)O)O)
+
** C(CO)[N+](C)(C)C
 
* inchi key:
 
* inchi key:
−
** InChIKey=QCICUPZZLIQAPA-XPWFQUROSA-K
+
** InChIKey=OEYIOHPDSNJKLS-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** 5',5'''-diadenosine triphosphate
+
** choline
 
* molecular weight:
 
* molecular weight:
−
** 753.388    
+
** 104.172    
 
* Synonym(s):
 
* Synonym(s):
−
** P1,P3-bis(5'-adenosyl)triphosphate
+
** (2-hydroxyethyl)trimethylammonium
−
** 5'Ap3A
+
−
** adenosine 5'-(tetrahydrogen triphosphate), P''-5'-ester with adenosine
+
−
** Ap3A
+
−
** adenosine(5')triphospho(5')adenosine
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[BIS5-ADENOSYL-TRIPHOSPHATASE-RXN]]
+
* [[RXN0-7230]]
 +
* [[2.3.1.91-RXN]]
 +
* [[2.7.8.24-RXN]]
 +
* [[CHOLINE-KINASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-17758]]
 +
* [[ACETYLCHOLINESTERASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[CHD-RXN]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 62-49-7
 +
* CAS : 123-41-1
 +
* Wikipedia : Choline
 +
* METABOLIGHTS : MTBLC15354
 +
* DRUGBANK : DB00122
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25201180 25201180]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=305 305]
−
* CHEBI:
+
* HMDB : HMDB00097
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58529 58529]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C06197 C06197]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00114 C00114]
−
* HMDB : HMDB01155
+
* CHEMSPIDER:
−
{{#set: smiles=C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC6(C(C(C(N5(C4(=C(C(=NC=N4)N)N=C5)))O6)O)O)}}
+
** [http://www.chemspider.com/Chemical-Structure.299.html 299]
−
{{#set: inchi key=InChIKey=QCICUPZZLIQAPA-XPWFQUROSA-K}}
+
* CHEBI:
−
{{#set: common name=5',5'''-diadenosine triphosphate}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15354 15354]
−
{{#set: molecular weight=753.388   }}
+
* BIGG : chol
−
{{#set: common name=P1,P3-bis(5'-adenosyl)triphosphate|5'Ap3A|adenosine 5'-(tetrahydrogen triphosphate), P''-5'-ester with adenosine|Ap3A|adenosine(5')triphospho(5')adenosine}}
+
{{#set: smiles=C(CO)[N+](C)(C)C}}
−
{{#set: consumed by=BIS5-ADENOSYL-TRIPHOSPHATASE-RXN}}
+
{{#set: inchi key=InChIKey=OEYIOHPDSNJKLS-UHFFFAOYSA-N}}
 +
{{#set: common name=choline}}
 +
{{#set: molecular weight=104.172   }}
 +
{{#set: common name=(2-hydroxyethyl)trimethylammonium}}
 +
{{#set: consumed by=RXN0-7230|2.3.1.91-RXN|2.7.8.24-RXN|CHOLINE-KINASE-RXN}}
 +
{{#set: produced by=RXN-17758|ACETYLCHOLINESTERASE-RXN}}
 +
{{#set: reversible reaction associated=CHD-RXN}}

Revision as of 18:25, 18 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
  • METABOLIGHTS : MTBLC15354
  • DRUGBANK : DB00122
  • PUBCHEM:
  • HMDB : HMDB00097
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : chol
"C(CO)[N+](C)(C)C" cannot be used as a page name in this wiki.




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