Difference between revisions of "NIACINE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17641 CPD-17641] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCO)COP(=O)...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=NIACINE NIACINE] == * smiles: ** C1(=CC=C(C([O-])=O)C=N1) * inchi key: ** InChIKey=PVNIIMVLHYAW...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17641 CPD-17641] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=NIACINE NIACINE] ==
 
* smiles:
 
* smiles:
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCO)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-]
+
** C1(=CC=C(C([O-])=O)C=N1)
 
* inchi key:
 
* inchi key:
** InChIKey=WMNWNRKMANJLHY-LFZQUHGESA-J
+
** InChIKey=PVNIIMVLHYAWGP-UHFFFAOYSA-M
 
* common name:
 
* common name:
** 18-hydroxystearoyl-CoA
+
** nicotinate
 
* molecular weight:
 
* molecular weight:
** 1045.968    
+
** 122.103    
 
* Synonym(s):
 
* Synonym(s):
** ω-hydroxy-octadecanoyl-coenzyme A
+
** 3-pyridinecarboxylic acid
** ω-hydroxystearoyl-CoA
+
** nicotinic acid
** 18-hydroxy-octadecanoyl-CoA
+
** wampocap
 +
** nicolar
 +
** nicocap
 +
** nicobid
 +
** nico-400-
 +
** nicamin
 +
** niacin
 +
** niacine
 +
** vitamin B3
 +
** 3-pyridinecarboxylate
 +
** pyridine-3-carboxylate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[NICOTINATEPRIBOSYLTRANS-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-16401]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 59-67-6
 +
* BIGG : 34401
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91819832 91819832]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=937 937]
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCO)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-]}}
+
* HMDB : HMDB01488
{{#set: inchi key=InChIKey=WMNWNRKMANJLHY-LFZQUHGESA-J}}
+
* LIGAND-CPD:
{{#set: common name=18-hydroxystearoyl-CoA}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C00253 C00253]
{{#set: molecular weight=1045.968   }}
+
* CHEMSPIDER:
{{#set: common name=ω-hydroxy-octadecanoyl-coenzyme A|ω-hydroxystearoyl-CoA|18-hydroxy-octadecanoyl-CoA}}
+
** [http://www.chemspider.com/Chemical-Structure.912.html 912]
{{#set: produced by=RXN-16401}}
+
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32544 32544]
 +
* METABOLIGHTS : MTBLC32544
 +
{{#set: smiles=C1(=CC=C(C([O-])=O)C=N1)}}
 +
{{#set: inchi key=InChIKey=PVNIIMVLHYAWGP-UHFFFAOYSA-M}}
 +
{{#set: common name=nicotinate}}
 +
{{#set: molecular weight=122.103   }}
 +
{{#set: common name=3-pyridinecarboxylic acid|nicotinic acid|wampocap|nicolar|nicocap|nicobid|nico-400-|nicamin|niacin|niacine|vitamin B3|3-pyridinecarboxylate|pyridine-3-carboxylate}}
 +
{{#set: consumed by=NICOTINATEPRIBOSYLTRANS-RXN}}

Latest revision as of 20:14, 21 March 2018

Metabolite NIACINE

  • smiles:
    • C1(=CC=C(C([O-])=O)C=N1)
  • inchi key:
    • InChIKey=PVNIIMVLHYAWGP-UHFFFAOYSA-M
  • common name:
    • nicotinate
  • molecular weight:
    • 122.103
  • Synonym(s):
    • 3-pyridinecarboxylic acid
    • nicotinic acid
    • wampocap
    • nicolar
    • nicocap
    • nicobid
    • nico-400-
    • nicamin
    • niacin
    • niacine
    • vitamin B3
    • 3-pyridinecarboxylate
    • pyridine-3-carboxylate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 59-67-6
  • BIGG : 34401
  • PUBCHEM:
  • HMDB : HMDB01488
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC32544
"C1(=CC=C(C([O-])=O)C=N1)" cannot be used as a page name in this wiki.