Difference between revisions of "CPD-12287"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COUMARALDEHYDE COUMARALDEHYDE] == * smiles: ** C(=O)C=CC1(C=CC(O)=CC=1) * 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=COUMARALDEHYDE COUMARALDEHYDE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12287 CPD-12287] ==
 
* smiles:
 
* smiles:
** C(=O)C=CC1(C=CC(O)=CC=1)
+
** Br
 +
* molecular weight:
 +
** 79.904   
 
* inchi key:
 
* inchi key:
** InChIKey=CJXMVKYNVIGQBS-OWOJBTEDSA-N
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** InChIKey=CPELXLSAUQHCOX-UHFFFAOYSA-N
 
* common name:
 
* common name:
** 4-coumaraldehyde
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** hydrogen bromide
* molecular weight:
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** 148.161   
+
 
* Synonym(s):
 
* Synonym(s):
** coumaraldehyde
 
** p-coumaraldehyde
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-1102]]
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* [[RXN-11329]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-1101]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=47266 47266]
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=641301 641301]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=260 260]
* HMDB : HMDB40986
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C05608 C05608]
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** [http://www.genome.jp/dbget-bin/www_bget?C13645 C13645]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.556592.html 556592]
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** [http://www.chemspider.com/Chemical-Structure.255.html 255]
* CHEBI:
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{{#set: smiles=Br}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28353 28353]
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{{#set: molecular weight=79.904   }}
* METABOLIGHTS : MTBLC28353
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{{#set: inchi key=InChIKey=CPELXLSAUQHCOX-UHFFFAOYSA-N}}
{{#set: smiles=C(=O)C=CC1(C=CC(O)=CC=1)}}
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{{#set: common name=hydrogen bromide}}
{{#set: inchi key=InChIKey=CJXMVKYNVIGQBS-OWOJBTEDSA-N}}
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{{#set: consumed by=RXN-11329}}
{{#set: common name=4-coumaraldehyde}}
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{{#set: molecular weight=148.161   }}
+
{{#set: common name=coumaraldehyde|p-coumaraldehyde}}
+
{{#set: consumed by=RXN-1102}}
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{{#set: produced by=RXN-1101}}
+

Latest revision as of 18:52, 9 January 2019

Metabolite CPD-12287

  • smiles:
    • Br
  • molecular weight:
    • 79.904
  • inchi key:
    • InChIKey=CPELXLSAUQHCOX-UHFFFAOYSA-N
  • common name:
    • hydrogen bromide
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links