Difference between revisions of "PYRAZINOIC-ACID"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1137 CPD-1137] == * smiles: ** C=C(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PYRAZINOIC-ACID PYRAZINOIC-ACID] == * smiles: ** C1(N=CC=NC=1C([O-])=O) * inchi key: ** InChIKe...")
 
(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=CPD-1137 CPD-1137] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PYRAZINOIC-ACID PYRAZINOIC-ACID] ==
 
* smiles:
 
* smiles:
** C=C(CC(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-])=O)C([O-])=O
+
** C1(N=CC=NC=1C([O-])=O)
 
* inchi key:
 
* inchi key:
** InChIKey=NFVGYLGSSJPRKW-CITAKDKDSA-I
+
** InChIKey=NIPZZXUFJPQHNH-UHFFFAOYSA-M
 
* common name:
 
* common name:
** itaconyl-CoA
+
** pyrazine-2-carboxylate
 
* molecular weight:
 
* molecular weight:
** 874.579    
+
** 123.091    
 
* Synonym(s):
 
* Synonym(s):
 +
** pyrazinoate
 +
** pyrazinoic acid
 +
** pyrazinecarboxylic acid
 +
** pyrazinemonocarboxylic acid
  
 
== 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 ==
* [[RXN-8988]]
+
* [[PYRAZIN-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C00531 C00531]
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57381 57381]
 
* METABOLIGHTS : MTBLC57381
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266606 45266606]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3728869 3728869]
* HMDB : HMDB03377
+
* CHEMSPIDER:
{{#set: smiles=C=C(CC(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-])=O)C([O-])=O}}
+
** [http://www.chemspider.com/Chemical-Structure.2959374.html 2959374]
{{#set: inchi key=InChIKey=NFVGYLGSSJPRKW-CITAKDKDSA-I}}
+
* CHEBI:
{{#set: common name=itaconyl-CoA}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71266 71266]
{{#set: molecular weight=874.579   }}
+
* NCI:
{{#set: produced by=RXN-8988}}
+
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=27192 27192]
 +
{{#set: smiles=C1(N=CC=NC=1C([O-])=O)}}
 +
{{#set: inchi key=InChIKey=NIPZZXUFJPQHNH-UHFFFAOYSA-M}}
 +
{{#set: common name=pyrazine-2-carboxylate}}
 +
{{#set: molecular weight=123.091   }}
 +
{{#set: common name=pyrazinoate|pyrazinoic acid|pyrazinecarboxylic acid|pyrazinemonocarboxylic acid}}
 +
{{#set: produced by=PYRAZIN-RXN}}

Latest revision as of 20:41, 21 March 2018

Metabolite PYRAZINOIC-ACID

  • smiles:
    • C1(N=CC=NC=1C([O-])=O)
  • inchi key:
    • InChIKey=NIPZZXUFJPQHNH-UHFFFAOYSA-M
  • common name:
    • pyrazine-2-carboxylate
  • molecular weight:
    • 123.091
  • Synonym(s):
    • pyrazinoate
    • pyrazinoic acid
    • pyrazinecarboxylic acid
    • pyrazinemonocarboxylic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C1(N=CC=NC=1C([O-])=O)" cannot be used as a page name in this wiki.