Difference between revisions of "CPD-110"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-110 CPD-110] == * smiles: ** C(C1(=CC=CC=C1O))([O-])=O * inchi key: ** InChIKey=YGSDEFSMJLZ...")
 
Line 3: Line 3:
 
* smiles:
 
* smiles:
 
** C(C1(=CC=CC=C1O))([O-])=O
 
** C(C1(=CC=CC=C1O))([O-])=O
 +
* molecular weight:
 +
** 137.115   
 
* inchi key:
 
* inchi key:
 
** InChIKey=YGSDEFSMJLZEOE-UHFFFAOYSA-M
 
** InChIKey=YGSDEFSMJLZEOE-UHFFFAOYSA-M
 
* common name:
 
* common name:
 
** salicylate
 
** salicylate
* molecular weight:
 
** 137.115   
 
 
* Synonym(s):
 
* Synonym(s):
 
** salicylic acid
 
** salicylic acid
Line 23: Line 23:
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 69-72-7
 
* Wikipedia : Salicylate
 
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54675850 54675850]
 
 
* KNAPSACK : C00000206
 
* KNAPSACK : C00000206
 +
* CAS : 69-72-7
 
* HMDB : HMDB01895
 
* HMDB : HMDB01895
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C00805 C00805]
 
 
* CHEMSPIDER:
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.4964.html 4964]
 
** [http://www.chemspider.com/Chemical-Structure.4964.html 4964]
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30762 30762]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30762 30762]
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C00805 C00805]
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54675850 54675850]
 +
* Wikipedia : Salicylate
 
{{#set: smiles=C(C1(=CC=CC=C1O))([O-])=O}}
 
{{#set: smiles=C(C1(=CC=CC=C1O))([O-])=O}}
 +
{{#set: molecular weight=137.115    }}
 
{{#set: inchi key=InChIKey=YGSDEFSMJLZEOE-UHFFFAOYSA-M}}
 
{{#set: inchi key=InChIKey=YGSDEFSMJLZEOE-UHFFFAOYSA-M}}
 
{{#set: common name=salicylate}}
 
{{#set: common name=salicylate}}
{{#set: molecular weight=137.115    }}
 
 
{{#set: common name=salicylic acid|o-hydroxybenzoic acid|2-hydroxybenzoic acid|SA|2-HBA|2-hydroxybenzoate|o-hydroxybenzoate}}
 
{{#set: common name=salicylic acid|o-hydroxybenzoic acid|2-hydroxybenzoic acid|SA|2-HBA|2-hydroxybenzoate|o-hydroxybenzoate}}
 
{{#set: produced by=RXNQT-4366}}
 
{{#set: produced by=RXNQT-4366}}

Latest revision as of 16:07, 9 January 2019

Metabolite CPD-110

  • smiles:
    • C(C1(=CC=CC=C1O))([O-])=O
  • molecular weight:
    • 137.115
  • inchi key:
    • InChIKey=YGSDEFSMJLZEOE-UHFFFAOYSA-M
  • common name:
    • salicylate
  • Synonym(s):
    • salicylic acid
    • o-hydroxybenzoic acid
    • 2-hydroxybenzoic acid
    • SA
    • 2-HBA
    • 2-hydroxybenzoate
    • o-hydroxybenzoate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • KNAPSACK : C00000206
  • CAS : 69-72-7
  • HMDB : HMDB01895
  • CHEMSPIDER:
  • CHEBI:
  • LIGAND-CPD:
  • PUBCHEM:
  • Wikipedia : Salicylate
"C(C1(=CC=CC=C1O))([O-])=O" cannot be used as a page name in this wiki.