Difference between revisions of "COUMARALDEHYDE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13757 CPD-13757] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(C(O)CCC2(C)(C(=O)C...")
(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) * common name: ** 4-cou...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13757 CPD-13757] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COUMARALDEHYDE COUMARALDEHYDE] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]
+
** C(=O)C=CC1(C=CC(O)=CC=1)
−
* inchi key:
+
−
** InChIKey=GXYIOJONRQGUCV-SWBALSFASA-J
+
 
* common name:
 
* common name:
−
** 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydro-1H-inden-4-yl]-3-hydroxypropanoyl-CoA
+
** 4-coumaraldehyde
 +
* inchi key:
 +
** InChIKey=CJXMVKYNVIGQBS-OWOJBTEDSA-N
 
* molecular weight:
 
* molecular weight:
−
** 1001.785    
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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-12750]]
+
* [[RXN-1102]]
 
== 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  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657574 90657574]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=641301 641301]
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]}}
+
* HMDB : HMDB40986
−
{{#set: inchi key=InChIKey=GXYIOJONRQGUCV-SWBALSFASA-J}}
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* LIGAND-CPD:
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{{#set: common name=3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydro-1H-inden-4-yl]-3-hydroxypropanoyl-CoA}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05608 C05608]
−
{{#set: molecular weight=1001.785    }}
+
* CHEMSPIDER:
−
{{#set: consumed by=RXN-12750}}
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** [http://www.chemspider.com/Chemical-Structure.556592.html 556592]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28353 28353]
 +
* METABOLIGHTS : MTBLC28353
 +
{{#set: smiles=C(=O)C=CC1(C=CC(O)=CC=1)}}
 +
{{#set: common name=4-coumaraldehyde}}
 +
{{#set: inchi key=InChIKey=CJXMVKYNVIGQBS-OWOJBTEDSA-N}}
 +
{{#set: molecular weight=148.161    }}
 +
{{#set: common name=coumaraldehyde|p-coumaraldehyde}}
 +
{{#set: consumed by=RXN-1102}}
 +
{{#set: produced by=RXN-1101}}

Latest revision as of 20:18, 21 March 2018

Metabolite COUMARALDEHYDE

  • smiles:
    • C(=O)C=CC1(C=CC(O)=CC=1)
  • common name:
    • 4-coumaraldehyde
  • inchi key:
    • InChIKey=CJXMVKYNVIGQBS-OWOJBTEDSA-N
  • molecular weight:
    • 148.161
  • Synonym(s):
    • coumaraldehyde
    • p-coumaraldehyde

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




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