Difference between revisions of "CPD-4126"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=URACIL URACIL] == * smiles: ** C1(=CC(NC(=O)N1)=O) * inchi key: ** InChIKey=ISAKRJDGNUQOIC-UHFF...")
 
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=URACIL URACIL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4126 CPD-4126] ==
 
* smiles:
 
* smiles:
** C1(=CC(NC(=O)N1)=O)
+
** CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
 +
* molecular weight:
 +
** 410.682   
 
* inchi key:
 
* inchi key:
** InChIKey=ISAKRJDGNUQOIC-UHFFFAOYSA-N
+
** InChIKey=XPRWWANUPMYKMF-HVEGQNEHSA-N
 
* common name:
 
* common name:
** uracil
+
** 5-dehydroavenasterol
* molecular weight:
+
** 112.088   
+
 
* Synonym(s):
 
* Synonym(s):
** U
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[URACIL-PRIBOSYLTRANS-RXN]]
+
* [[RXN-4210]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN0-2584]]
+
* [[RXN-4209]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN0-5398]]
 
 
== External links  ==
 
== External links  ==
* CAS : 66-22-8
+
* CHEBI:
* METABOLIGHTS : MTBLC17568
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=80097 80097]
* DRUGBANK : DB03419
+
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1174 1174]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44263331 44263331]
* HMDB : HMDB00300
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00106 C00106]
+
** [http://www.genome.jp/dbget-bin/www_bget?C15783 C15783]
* CHEMSPIDER:
+
* HMDB : HMDB06852
** [http://www.chemspider.com/Chemical-Structure.1141.html 1141]
+
{{#set: smiles=CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
* CHEBI:
+
{{#set: molecular weight=410.682    }}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17568 17568]
+
{{#set: inchi key=InChIKey=XPRWWANUPMYKMF-HVEGQNEHSA-N}}
* BIGG : ura
+
{{#set: common name=5-dehydroavenasterol}}
{{#set: smiles=C1(=CC(NC(=O)N1)=O)}}
+
{{#set: consumed by=RXN-4210}}
{{#set: inchi key=InChIKey=ISAKRJDGNUQOIC-UHFFFAOYSA-N}}
+
{{#set: produced by=RXN-4209}}
{{#set: common name=uracil}}
+
{{#set: molecular weight=112.088    }}
+
{{#set: common name=U}}
+
{{#set: consumed by=URACIL-PRIBOSYLTRANS-RXN}}
+
{{#set: produced by=RXN0-2584}}
+
{{#set: consumed or produced by=RXN0-5398}}
+

Latest revision as of 16:11, 9 January 2019

Metabolite CPD-4126

  • smiles:
    • CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
  • molecular weight:
    • 410.682
  • inchi key:
    • InChIKey=XPRWWANUPMYKMF-HVEGQNEHSA-N
  • common name:
    • 5-dehydroavenasterol
  • 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(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.