Difference between revisions of "CPD-15666"

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(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) * common name: ** s...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15666 CPD-15666] == * smiles: ** CCCCCCC=CCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SINAPALDEHYDE SINAPALDEHYDE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15666 CPD-15666] ==
 
* smiles:
 
* smiles:
** COC1(C=C(C=CC=O)C=C(OC)C(O)=1)
+
** CCCCCCC=CCCC=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-]
 
* common name:
 
* common name:
** sinapaldehyde
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** 6-cis, 2-trans-tridecadienoyl-CoA
 
* inchi key:
 
* inchi key:
** InChIKey=CDICDSOGTRCHMG-ONEGZZNKSA-N
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** InChIKey=OOSDLBAXVXKFIB-GTUBXKNVSA-J
 
* molecular weight:
 
* molecular weight:
** 208.213    
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** 955.803    
 
* Synonym(s):
 
* Synonym(s):
 +
** 6Z, 2E-tridecadienoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-1125]]
 
* [[RXN-8014]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-1143]]
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* [[RXN-14771]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-1124]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280802 5280802]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658546 90658546]
* CHEMSPIDER:
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{{#set: smiles=CCCCCCC=CCCC=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]
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{{#set: common name=6-cis, 2-trans-tridecadienoyl-CoA}}
* CHEBI:
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{{#set: inchi key=InChIKey=OOSDLBAXVXKFIB-GTUBXKNVSA-J}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27949 27949]
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{{#set: molecular weight=955.803   }}
* METABOLIGHTS : MTBLC27949
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{{#set: common name=6Z, 2E-tridecadienoyl-CoA}}
* LIGAND-CPD:
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{{#set: produced by=RXN-14771}}
** [http://www.genome.jp/dbget-bin/www_bget?C05610 C05610]
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{{#set: smiles=COC1(C=C(C=CC=O)C=C(OC)C(O)=1)}}
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{{#set: common name=sinapaldehyde}}
+
{{#set: inchi key=InChIKey=CDICDSOGTRCHMG-ONEGZZNKSA-N}}
+
{{#set: molecular weight=208.213   }}
+
{{#set: consumed by=RXN-1125|RXN-8014}}
+
{{#set: produced by=RXN-1143}}
+
{{#set: reversible reaction associated=RXN-1124}}
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Latest revision as of 21:02, 21 March 2018

Metabolite CPD-15666

  • smiles:
    • CCCCCCC=CCCC=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-]
  • common name:
    • 6-cis, 2-trans-tridecadienoyl-CoA
  • inchi key:
    • InChIKey=OOSDLBAXVXKFIB-GTUBXKNVSA-J
  • molecular weight:
    • 955.803
  • Synonym(s):
    • 6Z, 2E-tridecadienoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCC=CCCC=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-" cannot be used as a page name in this wiki.