Difference between revisions of "CPD-6746"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-277 CPD1G-277] == * smiles: ** CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OCTAPRENYL-4-HYDROXYBENZOATE 3-OCTAPRENYL-4-HYDROXYBENZOATE] == * smiles: ** CC(=CCCC(=CCCC(=...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-277 CPD1G-277] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OCTAPRENYL-4-HYDROXYBENZOATE 3-OCTAPRENYL-4-HYDROXYBENZOATE] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
+
** CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C
 
* inchi key:
 
* inchi key:
−
** InChIKey=FHLYYFPJDVYWQH-CPIGOPAHSA-J
+
** InChIKey=UTIBHEBNILDQKX-LQOKPSQISA-M
 
* common name:
 
* common name:
−
** cerotoyl-CoA
+
** 3-octaprenyl-4-hydroxybenzoate
 
* molecular weight:
 
* molecular weight:
−
** 1142.183    
+
** 682.06    
 
* Synonym(s):
 
* Synonym(s):
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN1G-4355]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[4OHBENZOATE-OCTAPRENYLTRANSFER-RXN]]
 
== 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=25202335 25202335]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54685638 54685638]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.5256806.html 5256806]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=64868 64868]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=1617 1617]
−
* HMDB : HMDB06459
+
* BIGG : 46544
−
{{#set: smiles=CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O}}
+
* LIGAND-CPD:
−
{{#set: inchi key=InChIKey=FHLYYFPJDVYWQH-CPIGOPAHSA-J}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05809 C05809]
−
{{#set: common name=cerotoyl-CoA}}
+
{{#set: smiles=CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C}}
−
{{#set: molecular weight=1142.183   }}
+
{{#set: inchi key=InChIKey=UTIBHEBNILDQKX-LQOKPSQISA-M}}
−
{{#set: consumed by=RXN1G-4355}}
+
{{#set: common name=3-octaprenyl-4-hydroxybenzoate}}
 +
{{#set: molecular weight=682.06   }}
 +
{{#set: produced by=4OHBENZOATE-OCTAPRENYLTRANSFER-RXN}}

Revision as of 22:07, 17 March 2018

Metabolite 3-OCTAPRENYL-4-HYDROXYBENZOATE

  • smiles:
    • CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C
  • inchi key:
    • InChIKey=UTIBHEBNILDQKX-LQOKPSQISA-M
  • common name:
    • 3-octaprenyl-4-hydroxybenzoate
  • molecular weight:
    • 682.06
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C" cannot be used as a page name in this wiki.



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