Difference between revisions of "CPD-17365"

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(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...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17365 CPD-17365] == * smiles: ** CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=NIACINE NIACINE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17365 CPD-17365] ==
 
* smiles:
 
* smiles:
** C1(=CC=C(C([O-])=O)C=N1)
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** CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-]
 
* inchi key:
 
* inchi key:
** InChIKey=PVNIIMVLHYAWGP-UHFFFAOYSA-M
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** InChIKey=QKBTYZDPVNTERQ-UWVCYPHHSA-J
 
* common name:
 
* common name:
** nicotinate
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** (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 122.103    
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** 1075.997    
 
* Synonym(s):
 
* Synonym(s):
** 3-pyridinecarboxylic acid
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** (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl-Coa
** nicotinic acid
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** wampocap
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** nicolar
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** nicocap
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** nicobid
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** nico-400-
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** nicamin
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** niacin
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** niacine
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** vitamin B3
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** 3-pyridinecarboxylate
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** 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 ==
* [[NICOTINAMID-RXN]]
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* [[RXN-17116]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 59-67-6
 
* METABOLIGHTS : MTBLC32544
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=937 937]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72193701 72193701]
* HMDB : HMDB01488
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00253 C00253]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.912.html 912]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32544 32544]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76368 76368]
* BIGG : nac
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{{#set: smiles=CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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: smiles=C1(=CC=C(C([O-])=O)C=N1)}}
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{{#set: inchi key=InChIKey=QKBTYZDPVNTERQ-UWVCYPHHSA-J}}
{{#set: inchi key=InChIKey=PVNIIMVLHYAWGP-UHFFFAOYSA-M}}
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{{#set: common name=(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA}}
{{#set: common name=nicotinate}}
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{{#set: molecular weight=1075.997   }}
{{#set: molecular weight=122.103   }}
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{{#set: common name=(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl-Coa}}
{{#set: common name=3-pyridinecarboxylic acid|nicotinic acid|wampocap|nicolar|nicocap|nicobid|nico-400-|nicamin|niacin|niacine|vitamin B3|3-pyridinecarboxylate|pyridine-3-carboxylate}}
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{{#set: produced by=RXN-17116}}
{{#set: consumed by=NICOTINATEPRIBOSYLTRANS-RXN}}
+
{{#set: produced by=NICOTINAMID-RXN}}
+

Revision as of 15:16, 23 May 2018

Metabolite CPD-17365

  • smiles:
    • CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-]
  • inchi key:
    • InChIKey=QKBTYZDPVNTERQ-UWVCYPHHSA-J
  • common name:
    • (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA
  • molecular weight:
    • 1075.997
  • Synonym(s):
    • (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl-Coa

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-" cannot be used as a page name in this wiki.