Difference between revisions of "CPD3O-4151"

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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...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11879 CPD-11879] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD3O-4151 CPD3O-4151] ==
 
* smiles:
 
* smiles:
** C(=O)([O-])C(C1(=CC=C(O)C(O)=C1))O
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** C1(C(=CC=C(C=1)O)CCO)
 +
* molecular weight:
 +
** 138.166   
 
* inchi key:
 
* inchi key:
** InChIKey=RGHMISIYKIHAJW-SSDOTTSWSA-M
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** InChIKey=YCCILVSKPBXVIP-UHFFFAOYSA-N
 
* common name:
 
* common name:
** 3,4-dihydroxymandelate
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** 4-tyrosol
* molecular weight:
+
** 183.14   
+
 
* Synonym(s):
 
* Synonym(s):
** 3,4-dihydroxymandelic acid
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** p-hydroxyphenylethanol
** dihydroxymandelic acid
+
** 2-(4-hydroxyphenyl)ethanol
** mandelic acid, 3,4-dihydroxy-
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** DHMA
+
  
 
== 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-10912]]
+
* [[RXN3O-4113]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* PUBCHEM:
+
* METABOLIGHTS : MTBLC1879
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6950180 6950180]
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* HMDB : HMDB01866
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C05580 C05580]
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** [http://www.genome.jp/dbget-bin/www_bget?C06044 C06044]
 +
* HMDB : HMDB04284
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.77371.html 77371]
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** [http://www.chemspider.com/Chemical-Structure.9964.html 9964]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27637 27637]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=1879 1879]
* METABOLIGHTS : MTBLC27637
+
* PUBCHEM:
{{#set: smiles=C(=O)([O-])C(C1(=CC=C(O)C(O)=C1))O}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=10393 10393]
{{#set: inchi key=InChIKey=RGHMISIYKIHAJW-SSDOTTSWSA-M}}
+
{{#set: smiles=C1(C(=CC=C(C=1)O)CCO)}}
{{#set: common name=3,4-dihydroxymandelate}}
+
{{#set: molecular weight=138.166    }}
{{#set: molecular weight=183.14    }}
+
{{#set: inchi key=InChIKey=YCCILVSKPBXVIP-UHFFFAOYSA-N}}
{{#set: common name=3,4-dihydroxymandelic acid|dihydroxymandelic acid|mandelic acid, 3,4-dihydroxy-|DHMA}}
+
{{#set: common name=4-tyrosol}}
{{#set: produced by=RXN-10912}}
+
{{#set: common name=p-hydroxyphenylethanol|2-(4-hydroxyphenyl)ethanol}}
 +
{{#set: produced by=RXN3O-4113}}

Latest revision as of 15:43, 9 January 2019

Metabolite CPD3O-4151

  • smiles:
    • C1(C(=CC=C(C=1)O)CCO)
  • molecular weight:
    • 138.166
  • inchi key:
    • InChIKey=YCCILVSKPBXVIP-UHFFFAOYSA-N
  • common name:
    • 4-tyrosol
  • Synonym(s):
    • p-hydroxyphenylethanol
    • 2-(4-hydroxyphenyl)ethanol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • METABOLIGHTS : MTBLC1879
  • LIGAND-CPD:
  • HMDB : HMDB04284
  • CHEMSPIDER:
  • CHEBI:
  • PUBCHEM: