Difference between revisions of "SINAPALDEHYDE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2106 CPD0-2106] == * smiles: ** CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SINAPALDEHYDE SINAPALDEHYDE] == * smiles: ** COC1(C=C(C=CC=O)C=C(OC)C(O)=1) * inchi key: ** InC...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2106 CPD0-2106] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SINAPALDEHYDE SINAPALDEHYDE] ==
 
* smiles:
 
* smiles:
−
** CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
+
** COC1(C=C(C=CC=O)C=C(OC)C(O)=1)
 
* inchi key:
 
* inchi key:
−
** InChIKey=WPIVBCGRGVNDDT-CECATXLMSA-J
+
** InChIKey=CDICDSOGTRCHMG-ONEGZZNKSA-N
 
* common name:
 
* common name:
−
** 3-oxooctanoyl-CoA
+
** sinapaldehyde
 
* molecular weight:
 
* molecular weight:
−
** 903.684    
+
** 208.213    
 
* Synonym(s):
 
* Synonym(s):
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-1125]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-1143]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-14277]]
+
* [[RXN-1124]]
 
== External links  ==
 
== External links  ==
−
* LIGAND-CPD:
 
−
** [http://www.genome.jp/dbget-bin/www_bget?C05267 C05267]
 
−
* CHEBI:
 
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62619 62619]
 
−
* BIGG : 45463
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173417 46173417]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280802 5280802]
−
* HMDB : HMDB03941
+
* CHEMSPIDER:
−
{{#set: smiles=CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
+
** [http://www.chemspider.com/Chemical-Structure.4444359.html 4444359]
−
{{#set: inchi key=InChIKey=WPIVBCGRGVNDDT-CECATXLMSA-J}}
+
* CHEBI:
−
{{#set: common name=3-oxooctanoyl-CoA}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27949 27949]
−
{{#set: molecular weight=903.684   }}
+
* METABOLIGHTS : MTBLC27949
−
{{#set: consumed or produced by=RXN-14277}}
+
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C05610 C05610]
 +
{{#set: smiles=COC1(C=C(C=CC=O)C=C(OC)C(O)=1)}}
 +
{{#set: inchi key=InChIKey=CDICDSOGTRCHMG-ONEGZZNKSA-N}}
 +
{{#set: common name=sinapaldehyde}}
 +
{{#set: molecular weight=208.213   }}
 +
{{#set: consumed by=RXN-1125}}
 +
{{#set: produced by=RXN-1143}}
 +
{{#set: reversible reaction associated=RXN-1124}}

Latest revision as of 19:39, 21 March 2018

Metabolite SINAPALDEHYDE

  • smiles:
    • COC1(C=C(C=CC=O)C=C(OC)C(O)=1)
  • inchi key:
    • InChIKey=CDICDSOGTRCHMG-ONEGZZNKSA-N
  • common name:
    • sinapaldehyde
  • molecular weight:
    • 208.213
  • Synonym(s):

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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