Difference between revisions of "3-HEXAPRENYL-45-DIHYDROXYBENZOATE"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=5-METHYLTHIOADENOSINE 5-METHYLTHIOADENOSINE] == * smiles: ** CSCC1(OC(C(O)C(O)1)N3(C=NC2(=C(N)N...")
 
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=5-METHYLTHIOADENOSINE 5-METHYLTHIOADENOSINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HEXAPRENYL-45-DIHYDROXYBENZOATE 3-HEXAPRENYL-45-DIHYDROXYBENZOATE] ==
 
* smiles:
 
* smiles:
−
** CSCC1(OC(C(O)C(O)1)N3(C=NC2(=C(N)N=CN=C23)))
+
** CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(=CC(C([O-])=O)=C1)O)O))C)C)C)C)C)C
 +
* molecular weight:
 +
** 561.823   
 
* inchi key:
 
* inchi key:
−
** InChIKey=WUUGFSXJNOTRMR-IOSLPCCCSA-N
+
** InChIKey=VEPICJBQCOUQPI-IRVXXIIISA-M
 
* common name:
 
* common name:
−
** S-methyl-5'-thioadenosine
+
** 3,4-dihydroxy-5-all-trans-hexaprenylbenzoate
−
* molecular weight:
+
−
** 297.331   
+
 
* Synonym(s):
 
* Synonym(s):
−
** methylthioadenosine
+
** 3-(3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4,5-dihydroxy-benzoic acid
−
** 5'-methylthioadenosine
+
** 3-hexaprenyl-4,5-dihydroxybenzoate
−
** S-methyl-5'-thioadenosine
+
−
** MTA
+
−
** S-methyl-adenosine
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[5-METHYLTHIOADENOSINE-PHOSPHORYLASE-RXN]]
+
* [[2.1.1.114-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[4.4.1.14-RXN]]
 
−
* [[RXN0-5217]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[SPERMIDINESYN-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 2457-80-9
+
* CHEBI:
−
* METABOLIGHTS : MTBLC17509
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58373 58373]
−
* DRUGBANK : DB02282
+
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439176 439176]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54692919 54692919]
−
* HMDB : HMDB01173
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C00170 C00170]
+
** [http://www.genome.jp/dbget-bin/www_bget?C05200 C05200]
−
* CHEMSPIDER:
+
* HMDB : HMDB01063
−
** [http://www.chemspider.com/Chemical-Structure.388321.html 388321]
+
{{#set: smiles=CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(=CC(C([O-])=O)=C1)O)O))C)C)C)C)C)C}}
−
* CHEBI:
+
{{#set: molecular weight=561.823    }}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17509 17509]
+
{{#set: inchi key=InChIKey=VEPICJBQCOUQPI-IRVXXIIISA-M}}
−
* BIGG : 5mta
+
{{#set: common name=3,4-dihydroxy-5-all-trans-hexaprenylbenzoate}}
−
{{#set: smiles=CSCC1(OC(C(O)C(O)1)N3(C=NC2(=C(N)N=CN=C23)))}}
+
{{#set: common name=3-(3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4,5-dihydroxy-benzoic acid|3-hexaprenyl-4,5-dihydroxybenzoate}}
−
{{#set: inchi key=InChIKey=WUUGFSXJNOTRMR-IOSLPCCCSA-N}}
+
{{#set: consumed by=2.1.1.114-RXN}}
−
{{#set: common name=S-methyl-5'-thioadenosine}}
+
−
{{#set: molecular weight=297.331    }}
+
−
{{#set: common name=methylthioadenosine|5'-methylthioadenosine|S-methyl-5'-thioadenosine|MTA|S-methyl-adenosine}}
+
−
{{#set: consumed by=5-METHYLTHIOADENOSINE-PHOSPHORYLASE-RXN}}
+
−
{{#set: produced by=4.4.1.14-RXN|RXN0-5217}}
+
−
{{#set: consumed or produced by=SPERMIDINESYN-RXN}}
+

Latest revision as of 18:11, 9 January 2019

Metabolite 3-HEXAPRENYL-45-DIHYDROXYBENZOATE

  • smiles:
    • CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(=CC(C([O-])=O)=C1)O)O))C)C)C)C)C)C
  • molecular weight:
    • 561.823
  • inchi key:
    • InChIKey=VEPICJBQCOUQPI-IRVXXIIISA-M
  • common name:
    • 3,4-dihydroxy-5-all-trans-hexaprenylbenzoate
  • Synonym(s):
    • 3-(3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4,5-dihydroxy-benzoic acid
    • 3-hexaprenyl-4,5-dihydroxybenzoate

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



Retrieved from "http://gem-aureme.irisa.fr/ccrgem/index.php?title=3-HEXAPRENYL-45-DIHYDROXYBENZOATE&oldid=22796"