Difference between revisions of "CPD-7630"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ADENOSYLCOBALAMIN-5-P ADENOSYLCOBALAMIN-5-P] == * smiles: ** CC%15(C=C%13(C(N%12(C%14(OC(COP([O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7630 CPD-7630] == * smiles: ** C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C3)O) * common n...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ADENOSYLCOBALAMIN-5-P ADENOSYLCOBALAMIN-5-P] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7630 CPD-7630] ==
 
* smiles:
 
* smiles:
−
** CC%15(C=C%13(C(N%12(C%14(OC(COP([O-])(=O)[O-])C(OP([O-])(=O)OC(C)CNC(=O)CCC1(C(CC(N)=O)C2(C4(C)(C(C)(CC(N)=O)C(CCC(=O)N)C3(C(C)=C8(C(CC(=O)N)(C(CCC(N)=O)C7(C=C6(C(C)(C)C(CCC(N)=O)C5(C(C)=C1N2[Co---]([N+]=34)([N+]=56)([N+]=78)(CC9(C(C(O)C(O9)N%10(C=NC%11(C%10=NC=NC=%11N)))O))[N+](=C%12)%13))))C)))))(C))C(O)%14)))=CC(C)=%15))
+
** C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C3)O)
 
* common name:
 
* common name:
−
** adenosylcobalamin 5'-phosphate
+
** (-)-epicatechin
 
* inchi key:
 
* inchi key:
−
** InChIKey=ZKESCEDFYCGFMC-OUCXYWSSSA-J
+
** InChIKey=PFTAWBLQPZVEMU-UKRRQHHQSA-N
 
* molecular weight:
 
* molecular weight:
−
** 1657.56    
+
** 290.272    
 
* Synonym(s):
 
* Synonym(s):
 +
** epicatechin
 +
** 2,3-cis-epicatechin
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-8770]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-9725]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* LIPID_MAPS : LMPK12020003
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=70678603 70678603]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72276 72276]
 +
* HMDB : HMDB01871
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C09727 C09727]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.65230.html 65230]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=60493 60493]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=90 90]
−
{{#set: smiles=CC%15(C=C%13(C(N%12(C%14(OC(COP([O-])(=O)[O-])C(OP([O-])(=O)OC(C)CNC(=O)CCC1(C(CC(N)=O)C2(C4(C)(C(C)(CC(N)=O)C(CCC(=O)N)C3(C(C)=C8(C(CC(=O)N)(C(CCC(N)=O)C7(C=C6(C(C)(C)C(CCC(N)=O)C5(C(C)=C1N2[Co---]([N+]=34)([N+]=56)([N+]=78)(CC9(C(C(O)C(O9)N%10(C=NC%11(C%10=NC=NC=%11N)))O))[N+](=C%12)%13))))C)))))(C))C(O)%14)))=CC(C)=%15))}}
+
* METABOLIGHTS : MTBLC90
−
{{#set: common name=adenosylcobalamin 5'-phosphate}}
+
{{#set: smiles=C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C3)O)}}
−
{{#set: inchi key=InChIKey=ZKESCEDFYCGFMC-OUCXYWSSSA-J}}
+
{{#set: common name=(-)-epicatechin}}
−
{{#set: molecular weight=1657.56   }}
+
{{#set: inchi key=InChIKey=PFTAWBLQPZVEMU-UKRRQHHQSA-N}}
−
{{#set: consumed by=RXN-8770}}
+
{{#set: molecular weight=290.272   }}
 +
{{#set: common name=epicatechin|2,3-cis-epicatechin}}
 +
{{#set: produced by=RXN-9725}}

Latest revision as of 21:10, 21 March 2018

Metabolite CPD-7630

  • smiles:
    • C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C3)O)
  • common name:
    • (-)-epicatechin
  • inchi key:
    • InChIKey=PFTAWBLQPZVEMU-UKRRQHHQSA-N
  • molecular weight:
    • 290.272
  • Synonym(s):
    • epicatechin
    • 2,3-cis-epicatechin

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIPID_MAPS : LMPK12020003
  • PUBCHEM:
  • HMDB : HMDB01871
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC90




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