Difference between revisions of "Glycosides"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10413 CPD-10413] == * smiles: ** C1(=C(C=CC(O)=C1)C2(C(O)CC3(C(O2)=CC(O)=CC(O)=3))) * inchi...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-201 CPD-201] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C1(=CC=C(O)C=C1))=O)COP(=O)(OP(=O...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10413 CPD-10413] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-201 CPD-201] ==
 
* smiles:
 
* smiles:
** C1(=C(C=CC(O)=C1)C2(C(O)CC3(C(O2)=CC(O)=CC(O)=3)))
+
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C1(=CC=C(O)C=C1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
 
* inchi key:
 
* inchi key:
** InChIKey=RSYUFYQTACJFML-UKRRQHHQSA-N
+
** InChIKey=LTVXPVBFJBTNIJ-TYHXJLICSA-J
 
* common name:
 
* common name:
** (-)-epiafzelechin
+
** 4-hydroxybenzoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 274.273    
+
** 883.61    
 
* Synonym(s):
 
* Synonym(s):
** 2,3-cis-epiafzelechin
+
** p-hydroxybenzoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-9724]]
+
* [[RXN-11246]]
 
== 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=443639 443639]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266585 45266585]
* HMDB : HMDB30822
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C12128 C12128]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.391781.html 391781]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=31028 31028]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57356 57356]
* METABOLIGHTS : MTBLC31028
+
* LIGAND-CPD:
{{#set: smiles=C1(=C(C=CC(O)=C1)C2(C(O)CC3(C(O2)=CC(O)=CC(O)=3)))}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C02949 C02949]
{{#set: inchi key=InChIKey=RSYUFYQTACJFML-UKRRQHHQSA-N}}
+
* HMDB : HMDB06467
{{#set: common name=(-)-epiafzelechin}}
+
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C1(=CC=C(O)C=C1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}}
{{#set: molecular weight=274.273   }}
+
{{#set: inchi key=InChIKey=LTVXPVBFJBTNIJ-TYHXJLICSA-J}}
{{#set: common name=2,3-cis-epiafzelechin}}
+
{{#set: common name=4-hydroxybenzoyl-CoA}}
{{#set: produced by=RXN-9724}}
+
{{#set: molecular weight=883.61   }}
 +
{{#set: common name=p-hydroxybenzoyl-CoA}}
 +
{{#set: produced by=RXN-11246}}

Revision as of 16:11, 10 January 2018

Metabolite CPD-201

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C1(=CC=C(O)C=C1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
  • inchi key:
    • InChIKey=LTVXPVBFJBTNIJ-TYHXJLICSA-J
  • common name:
    • 4-hydroxybenzoyl-CoA
  • molecular weight:
    • 883.61
  • Synonym(s):
    • p-hydroxybenzoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C1(=CC=C(O)C=C1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-" cannot be used as a page name in this wiki.