Difference between revisions of "CPD-694"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-16094 RXN-16094] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy.org/EC/...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-694 CPD-694] == * smiles: ** CC6(=C7(C(C([CH]8(C2([N+]1([Co---]4([N+]3(C(=C(C)C=1C(CCC([O-]...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
−
[[Category:Reaction]]
+
[[Category:Metabolite]]
−
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-16094 RXN-16094] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-694 CPD-694] ==
−
* direction:
+
* smiles:
−
** LEFT-TO-RIGHT
+
** CC6(=C7(C(C([CH]8(C2([N+]1([Co---]4([N+]3(C(=C(C)C=1C(CCC([O-])=O)C(CC(=O)N)(C)2)C(C(CCC(=O)[O-])C=3C=C5(C(C)(C)C(CCC(=O)[O-])C(=[N+]45)6))(CC(=O)N)C))N78))C))CC(=O)[O-])(C)CCC(=O)[O-]))
−
* ec number:
+
* inchi key:
−
** [http://enzyme.expasy.org/EC/2.3.1.199 EC-2.3.1.199]
+
** InChIKey=NKLHEMWEQJCPPF-OKJGWHJPSA-H
 +
* common name:
 +
** cob(I)yrinate a,c-diamide
 +
* molecular weight:
 +
** 931.9   
 
* Synonym(s):
 
* Synonym(s):
 +
** cob(I)yrinic acid a,c-diamide
 +
** Cob(I)yrinate diamide
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
* [[R344-RXN]]
−
** 1 [[PROTON]][c] '''+''' 1 [[MALONYL-COA]][c] '''+''' 1 [[CPD-18]][c] '''=>''' 1 [[CO-A]][c] '''+''' 1 [[CARBON-DIOXIDE]][c] '''+''' 1 [[CPD-17346]][c]
+
== Reaction(s) known to produce the compound ==
−
* With common name(s):
+
== Reaction(s) of unknown directionality ==
−
** 1 H+[c] '''+''' 1 malonyl-CoA[c] '''+''' 1 linoleoyl-CoA[c] '''=>''' 1 coenzyme A[c] '''+''' 1 CO2[c] '''+''' 1 3-oxo-(11Z,14Z)-icosa-11,14-dienoyl-CoA[c]
+
−
 
+
−
== Genes associated with this reaction  ==
+
−
== Pathways  ==
+
−
* [[PWY-7601]], arachidonate biosynthesis IV (8-detaturase, lower eukaryotes): [http://metacyc.org/META/NEW-IMAGE?object=PWY-7601 PWY-7601]
+
−
** '''4''' reactions found over '''7''' reactions in the full pathway
+
−
* [[PWY-7725]], arachidonate biosynthesis V (8-detaturase, mammals): [http://metacyc.org/META/NEW-IMAGE?object=PWY-7725 PWY-7725]
+
−
** '''5''' reactions found over '''6''' reactions in the full pathway
+
−
* [[PWY-6598]], sciadonate biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6598 PWY-6598]
+
−
** '''4''' reactions found over '''5''' reactions in the full pathway
+
−
== Reconstruction information  ==
+
−
* [[gap-filling]]:
+
−
** [[meneco]]:
+
−
*** [[added for gapfilling]]
+
 
== External links  ==
 
== External links  ==
−
{{#set: direction=LEFT-TO-RIGHT}}
+
* PUBCHEM:
−
{{#set: ec number=EC-2.3.1.199}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266689 45266689]
−
{{#set: in pathway=PWY-7601|PWY-7725|PWY-6598}}
+
* CHEBI:
−
{{#set: reconstruction category=gap-filling}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58575 58575]
−
{{#set: reconstruction tool=meneco}}
+
* LIGAND-CPD:
−
{{#set: reconstruction source=added for gapfilling}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C06505 C06505]
 +
* HMDB : HMDB06904
 +
{{#set: smiles=CC6(=C7(C(C([CH]8(C2([N+]1([Co---]4([N+]3(C(=C(C)C=1C(CCC([O-])=O)C(CC(=O)N)(C)2)C(C(CCC(=O)[O-])C=3C=C5(C(C)(C)C(CCC(=O)[O-])C(=[N+]45)6))(CC(=O)N)C))N78))C))CC(=O)[O-])(C)CCC(=O)[O-]))}}
 +
{{#set: inchi key=InChIKey=NKLHEMWEQJCPPF-OKJGWHJPSA-H}}
 +
{{#set: common name=cob(I)yrinate a,c-diamide}}
 +
{{#set: molecular weight=931.9    }}
 +
{{#set: common name=cob(I)yrinic acid a,c-diamide|Cob(I)yrinate diamide}}
 +
{{#set: consumed by=R344-RXN}}

Latest revision as of 19:03, 21 March 2018

Metabolite CPD-694

  • smiles:
    • CC6(=C7(C(C([CH]8(C2([N+]1([Co---]4([N+]3(C(=C(C)C=1C(CCC([O-])=O)C(CC(=O)N)(C)2)C(C(CCC(=O)[O-])C=3C=C5(C(C)(C)C(CCC(=O)[O-])C(=[N+]45)6))(CC(=O)N)C))N78))C))CC(=O)[O-])(C)CCC(=O)[O-]))
  • inchi key:
    • InChIKey=NKLHEMWEQJCPPF-OKJGWHJPSA-H
  • common name:
    • cob(I)yrinate a,c-diamide
  • molecular weight:
    • 931.9
  • Synonym(s):
    • cob(I)yrinic acid a,c-diamide
    • Cob(I)yrinate diamide

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC6(=C7(C(C([CH]8(C2([N+]1([Co---]4([N+]3(C(=C(C)C=1C(CCC([O-])=O)C(CC(=O)N)(C)2)C(C(CCC(=O)[O-])C=3C=C5(C(C)(C)C(CCC(=O)[O-])C(=[N+]45)6))(CC(=O)N)C))N78))C))CC(=O)[O-])(C)CCC(=O)[O-]))" cannot be used as a page name in this wiki.



Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=CPD-694&oldid=24133"