Difference between revisions of "CPD-11879"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11879 CPD-11879] == * smiles: ** C(=O)([O-])C(C1(=CC=C(O)C(O)=C1))O * inchi key: ** InChIKe...")
 
Line 3: Line 3:
 
* smiles:
 
* smiles:
 
** C(=O)([O-])C(C1(=CC=C(O)C(O)=C1))O
 
** C(=O)([O-])C(C1(=CC=C(O)C(O)=C1))O
 +
* molecular weight:
 +
** 183.14   
 
* inchi key:
 
* inchi key:
 
** InChIKey=RGHMISIYKIHAJW-SSDOTTSWSA-M
 
** InChIKey=RGHMISIYKIHAJW-SSDOTTSWSA-M
 
* common name:
 
* common name:
 
** 3,4-dihydroxymandelate
 
** 3,4-dihydroxymandelate
* molecular weight:
 
** 183.14   
 
 
* Synonym(s):
 
* Synonym(s):
 
** 3,4-dihydroxymandelic acid
 
** 3,4-dihydroxymandelic acid
Line 20: Line 20:
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* PUBCHEM:
+
* METABOLIGHTS : MTBLC27637
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6950180 6950180]
+
* HMDB : HMDB01866
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C05580 C05580]
 
** [http://www.genome.jp/dbget-bin/www_bget?C05580 C05580]
 +
* HMDB : HMDB01866
 
* CHEMSPIDER:
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.77371.html 77371]
 
** [http://www.chemspider.com/Chemical-Structure.77371.html 77371]
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27637 27637]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27637 27637]
* METABOLIGHTS : MTBLC27637
+
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6950180 6950180]
 
{{#set: smiles=C(=O)([O-])C(C1(=CC=C(O)C(O)=C1))O}}
 
{{#set: smiles=C(=O)([O-])C(C1(=CC=C(O)C(O)=C1))O}}
 +
{{#set: molecular weight=183.14    }}
 
{{#set: inchi key=InChIKey=RGHMISIYKIHAJW-SSDOTTSWSA-M}}
 
{{#set: inchi key=InChIKey=RGHMISIYKIHAJW-SSDOTTSWSA-M}}
 
{{#set: common name=3,4-dihydroxymandelate}}
 
{{#set: common name=3,4-dihydroxymandelate}}
{{#set: molecular weight=183.14    }}
 
 
{{#set: common name=3,4-dihydroxymandelic acid|dihydroxymandelic acid|mandelic acid, 3,4-dihydroxy-|DHMA}}
 
{{#set: common name=3,4-dihydroxymandelic acid|dihydroxymandelic acid|mandelic acid, 3,4-dihydroxy-|DHMA}}
 
{{#set: produced by=RXN-10912}}
 
{{#set: produced by=RXN-10912}}

Latest revision as of 15:45, 9 January 2019

Metabolite CPD-11879

  • smiles:
    • C(=O)([O-])C(C1(=CC=C(O)C(O)=C1))O
  • molecular weight:
    • 183.14
  • inchi key:
    • InChIKey=RGHMISIYKIHAJW-SSDOTTSWSA-M
  • common name:
    • 3,4-dihydroxymandelate
  • Synonym(s):
    • 3,4-dihydroxymandelic acid
    • dihydroxymandelic acid
    • mandelic acid, 3,4-dihydroxy-
    • DHMA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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