Difference between revisions of "CPD-11552"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-HYDROXYBENZALDEHYDE 4-HYDROXYBENZALDEHYDE] == * smiles: ** [CH](C1(C=CC(O)=CC=1))=O * inchi k...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11552 CPD-11552] == * smiles: ** C(=O)([O-])C(=O)CC(=O)C1(C=CC=C(O)C(N)=1) * common name: *...")
 
(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=4-HYDROXYBENZALDEHYDE 4-HYDROXYBENZALDEHYDE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11552 CPD-11552] ==
 
* smiles:
 
* smiles:
** [CH](C1(C=CC(O)=CC=1))=O
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** C(=O)([O-])C(=O)CC(=O)C1(C=CC=C(O)C(N)=1)
* inchi key:
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** InChIKey=RGHHSNMVTDWUBI-UHFFFAOYSA-N
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* common name:
 
* common name:
** 4-hydroxybenzaldehyde
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** 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate
 +
* inchi key:
 +
** InChIKey=YCJNYHCCOXVYAF-UHFFFAOYSA-M
 
* molecular weight:
 
* molecular weight:
** 122.123    
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** 222.177    
 
* Synonym(s):
 
* Synonym(s):
** p-hydroxybenzaldehyde
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-8872]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-13600]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-10721]]
 
== External links  ==
 
== External links  ==
* CAS : 123-08-0
 
* DRUGBANK : DB03560
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=126 126]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21145116 21145116]
* HMDB : HMDB11718
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00633 C00633]
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* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.123.html 123]
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** [http://www.chemspider.com/Chemical-Structure.20016009.html 20016009]
* CHEBI:
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* HMDB : HMDB04083
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17597 17597]
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* LIGAND-CPD:
* METABOLIGHTS : MTBLC17597
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** [http://www.genome.jp/dbget-bin/www_bget?C05645 C05645]
{{#set: smiles=[CH](C1(C=CC(O)=CC=1))=O}}
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{{#set: smiles=C(=O)([O-])C(=O)CC(=O)C1(C=CC=C(O)C(N)=1)}}
{{#set: inchi key=InChIKey=RGHHSNMVTDWUBI-UHFFFAOYSA-N}}
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{{#set: common name=4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate}}
{{#set: common name=4-hydroxybenzaldehyde}}
+
{{#set: inchi key=InChIKey=YCJNYHCCOXVYAF-UHFFFAOYSA-M}}
{{#set: molecular weight=122.123   }}
+
{{#set: molecular weight=222.177   }}
{{#set: common name=p-hydroxybenzaldehyde}}
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{{#set: reversible reaction associated=RXN-10721}}
{{#set: consumed by=RXN-8872}}
+
{{#set: produced by=RXN-13600}}
+

Latest revision as of 19:18, 21 March 2018

Metabolite CPD-11552

  • smiles:
    • C(=O)([O-])C(=O)CC(=O)C1(C=CC=C(O)C(N)=1)
  • common name:
    • 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate
  • inchi key:
    • InChIKey=YCJNYHCCOXVYAF-UHFFFAOYSA-M
  • molecular weight:
    • 222.177
  • Synonym(s):

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(=O)CC(=O)C1(C=CC=C(O)C(N)=1)" cannot be used as a page name in this wiki.