Difference between revisions of "CPD-9446"

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(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...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-132 CPD1F-132] == * smiles: ** C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C([O-])=O)CCCC(C)2[CH]3CC4)))...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PYRAZINOIC-ACID PYRAZINOIC-ACID] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-132 CPD1F-132] ==
 
* smiles:
 
* smiles:
** C1(N=CC=NC=1C([O-])=O)
+
** C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C([O-])=O)CCCC(C)2[CH]3CC4))))
 
* inchi key:
 
* inchi key:
** InChIKey=NIPZZXUFJPQHNH-UHFFFAOYSA-M
+
** InChIKey=NIKHGUQULKYIGE-OTCXFQBHSA-M
 
* common name:
 
* common name:
** pyrazine-2-carboxylate
+
** ent-kaur-16-en-19-oate
 
* molecular weight:
 
* molecular weight:
** 123.091    
+
** 301.448    
 
* Synonym(s):
 
* Synonym(s):
** pyrazinoate
+
** ent-kaurenoate
** pyrazinoic acid
+
** ent-kaurenoic acid
** pyrazinecarboxylic acid
+
** pyrazinemonocarboxylic acid
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[1.14.13.79-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[PYRAZIN-RXN]]
+
* [[RXN-7580]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* LIPID_MAPS : LMPR0104130004
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3728869 3728869]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25200785 25200785]
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.2959374.html 2959374]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71266 71266]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57297 57297]
* NCI:
+
* LIGAND-CPD:
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=27192 27192]
+
** [http://www.genome.jp/dbget-bin/www_bget?C11874 C11874]
{{#set: smiles=C1(N=CC=NC=1C([O-])=O)}}
+
{{#set: smiles=C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C([O-])=O)CCCC(C)2[CH]3CC4))))}}
{{#set: inchi key=InChIKey=NIPZZXUFJPQHNH-UHFFFAOYSA-M}}
+
{{#set: inchi key=InChIKey=NIKHGUQULKYIGE-OTCXFQBHSA-M}}
{{#set: common name=pyrazine-2-carboxylate}}
+
{{#set: common name=ent-kaur-16-en-19-oate}}
{{#set: molecular weight=123.091   }}
+
{{#set: molecular weight=301.448   }}
{{#set: common name=pyrazinoate|pyrazinoic acid|pyrazinecarboxylic acid|pyrazinemonocarboxylic acid}}
+
{{#set: common name=ent-kaurenoate|ent-kaurenoic acid}}
{{#set: produced by=PYRAZIN-RXN}}
+
{{#set: consumed by=1.14.13.79-RXN}}
 +
{{#set: produced by=RXN-7580}}

Revision as of 17:03, 10 January 2018

Metabolite CPD1F-132

  • smiles:
    • C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C([O-])=O)CCCC(C)2[CH]3CC4))))
  • inchi key:
    • InChIKey=NIKHGUQULKYIGE-OTCXFQBHSA-M
  • common name:
    • ent-kaur-16-en-19-oate
  • molecular weight:
    • 301.448
  • Synonym(s):
    • ent-kaurenoate
    • ent-kaurenoic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C([O-])=O)CCCC(C)2[CH]3CC4))))" cannot be used as a page name in this wiki.