Difference between revisions of "CPD-12906"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ARACHIDIC_ACID ARACHIDIC_ACID] == * smiles: ** CCCCCCCCCCCCCCCCCCCC(=O)[O-] * common name: ** a...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12906 CPD-12906] == * smiles: ** CC(C)=CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ARACHIDIC_ACID ARACHIDIC_ACID] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12906 CPD-12906] ==
 
* smiles:
 
* smiles:
** CCCCCCCCCCCCCCCCCCCC(=O)[O-]
+
** CC(C)=CC(=O)CC(=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-]
* common name:
+
** arachidate
+
 
* inchi key:
 
* inchi key:
** InChIKey=VKOBVWXKNCXXDE-UHFFFAOYSA-M
+
** InChIKey=ZFKZVSUJTDSJEY-SVHODSNWSA-J
 +
* common name:
 +
** 5-methyl-3-oxo-4-hexenoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 311.527    
+
** 887.641    
 
* Synonym(s):
 
* Synonym(s):
** icosanoic acid (n-C20:0)
 
** arachidic acid
 
** icosanoate
 
** icosanoic acid
 
** eicosanoate
 
** eicosanoic acid
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-11921]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-9629]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5461017 5461017]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=50986120 50986120]
* HMDB : HMDB02212
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C06425 C06425]
+
** [http://www.genome.jp/dbget-bin/www_bget?C16471 C16471]
* CHEMSPIDER:
+
* HMDB : HMDB60399
** [http://www.chemspider.com/Chemical-Structure.4574395.html 4574395]
+
{{#set: smiles=CC(C)=CC(=O)CC(=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-]}}
* CHEBI:
+
{{#set: inchi key=InChIKey=ZFKZVSUJTDSJEY-SVHODSNWSA-J}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32360 32360]
+
{{#set: common name=5-methyl-3-oxo-4-hexenoyl-CoA}}
* METABOLIGHTS : MTBLC32360
+
{{#set: molecular weight=887.641    }}
{{#set: smiles=CCCCCCCCCCCCCCCCCCCC(=O)[O-]}}
+
{{#set: consumed by=RXN-11921}}
{{#set: common name=arachidate}}
+
{{#set: inchi key=InChIKey=VKOBVWXKNCXXDE-UHFFFAOYSA-M}}
+
{{#set: molecular weight=311.527    }}
+
{{#set: common name=icosanoic acid (n-C20:0)|arachidic acid|icosanoate|icosanoic acid|eicosanoate|eicosanoic acid}}
+
{{#set: produced by=RXN-9629}}
+

Latest revision as of 20:12, 21 March 2018

Metabolite CPD-12906

  • smiles:
    • CC(C)=CC(=O)CC(=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=ZFKZVSUJTDSJEY-SVHODSNWSA-J
  • common name:
    • 5-methyl-3-oxo-4-hexenoyl-CoA
  • molecular weight:
    • 887.641
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)=CC(=O)CC(=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.