Difference between revisions of "CPD-19489"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CONIFERYL-ALDEHYDE CONIFERYL-ALDEHYDE] == * smiles: ** COC1(=CC(C=CC=O)=CC=C(O)1) * inchi key:...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19489 CPD-19489] == * smiles: ** CSCCCCCC(C(=O)C(=O)[O-])C(=O)[O-] * common name: ** 3-isop...")
 
(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=CONIFERYL-ALDEHYDE CONIFERYL-ALDEHYDE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19489 CPD-19489] ==
 
* smiles:
 
* smiles:
** COC1(=CC(C=CC=O)=CC=C(O)1)
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** CSCCCCCC(C(=O)C(=O)[O-])C(=O)[O-]
* inchi key:
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** InChIKey=DKZBBWMURDFHNE-NSCUHMNNSA-N
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* common name:
 
* common name:
** coniferaldehyde
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** 3-isopropyl-8-(methylthio)-2-oxooctanoate
 +
* inchi key:
 +
** InChIKey=YOBCOUZBIFVTFN-UHFFFAOYSA-L
 
* molecular weight:
 
* molecular weight:
** 178.187    
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** 246.278    
 
* Synonym(s):
 
* Synonym(s):
** 4-hydroxy-3-methoxycinnamaldehyde
 
** 4-hydroxy-3-methoxycinnamic aldehyde
 
** coniferyl aldehyde
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-18205]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-1106]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-18204]]
 
== External links  ==
 
== External links  ==
* CAS : 458-36-6
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{{#set: smiles=CSCCCCCC(C(=O)C(=O)[O-])C(=O)[O-]}}
* PUBCHEM:
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{{#set: common name=3-isopropyl-8-(methylthio)-2-oxooctanoate}}
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280536 5280536]
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{{#set: inchi key=InChIKey=YOBCOUZBIFVTFN-UHFFFAOYSA-L}}
* LIGAND-CPD:
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{{#set: molecular weight=246.278   }}
** [http://www.genome.jp/dbget-bin/www_bget?C02666 C02666]
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{{#set: consumed by=RXN-18205}}
* CHEMSPIDER:
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{{#set: reversible reaction associated=RXN-18204}}
** [http://www.chemspider.com/Chemical-Structure.4444167.html 4444167]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16547 16547]
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* METABOLIGHTS : MTBLC16547
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{{#set: smiles=COC1(=CC(C=CC=O)=CC=C(O)1)}}
+
{{#set: inchi key=InChIKey=DKZBBWMURDFHNE-NSCUHMNNSA-N}}
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{{#set: common name=coniferaldehyde}}
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{{#set: molecular weight=178.187   }}
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{{#set: common name=4-hydroxy-3-methoxycinnamaldehyde|4-hydroxy-3-methoxycinnamic aldehyde|coniferyl aldehyde}}
+
{{#set: produced by=RXN-1106}}
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Latest revision as of 19:19, 21 March 2018

Metabolite CPD-19489

  • smiles:
    • CSCCCCCC(C(=O)C(=O)[O-])C(=O)[O-]
  • common name:
    • 3-isopropyl-8-(methylthio)-2-oxooctanoate
  • inchi key:
    • InChIKey=YOBCOUZBIFVTFN-UHFFFAOYSA-L
  • molecular weight:
    • 246.278
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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