Difference between revisions of "CPD-17401"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=FERULOYL-COA FERULOYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=C(OC)C(O)=CC...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17401 CPD-17401] == * smiles: ** CCC=CCCC(O)CC=CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)...")
 
(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=FERULOYL-COA FERULOYL-COA] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17401 CPD-17401] ==
 
* smiles:
 
* smiles:
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=C(OC)C(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
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** CCC=CCCC(O)CC=CCCCCCCCC(=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-]
* inchi key:
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** InChIKey=GBXZVJQQDAJGSO-NBXNMEGSSA-J
+
 
* common name:
 
* common name:
** feruloyl-CoA
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** 3-oxo-auricoloyl-CoA
 +
* inchi key:
 +
** InChIKey=FGCWEBKTQLBCLR-JRSZCNINSA-J
 
* molecular weight:
 
* molecular weight:
** 939.674    
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** 1083.973    
 
* Synonym(s):
 
* Synonym(s):
** trans-feruloyl-CoA
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** 3-oxo-(11Z,17Z)-14R-hydroxy-icosa-11,17-dienoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-1106]]
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* [[RXN-16154]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN]]
 
* [[6.2.1.34-RXN]]
 
 
== 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=44229137 44229137]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91819742 91819742]
* CHEBI:
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{{#set: smiles=CCC=CCCC(O)CC=CCCCCCCCC(=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.ebi.ac.uk/chebi/searchId.do?chebiId=57276 57276]
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{{#set: common name=3-oxo-auricoloyl-CoA}}
* LIGAND-CPD:
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{{#set: inchi key=InChIKey=FGCWEBKTQLBCLR-JRSZCNINSA-J}}
** [http://www.genome.jp/dbget-bin/www_bget?C00406 C00406]
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{{#set: molecular weight=1083.973   }}
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=C(OC)C(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}}
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{{#set: common name=3-oxo-(11Z,17Z)-14R-hydroxy-icosa-11,17-dienoyl-CoA}}
{{#set: inchi key=InChIKey=GBXZVJQQDAJGSO-NBXNMEGSSA-J}}
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{{#set: consumed by=RXN-16154}}
{{#set: common name=feruloyl-CoA}}
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{{#set: molecular weight=939.674   }}
+
{{#set: common name=trans-feruloyl-CoA}}
+
{{#set: consumed by=RXN-1106}}
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{{#set: produced by=CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN|6.2.1.34-RXN}}
+

Latest revision as of 20:08, 21 March 2018

Metabolite CPD-17401

  • smiles:
    • CCC=CCCC(O)CC=CCCCCCCCC(=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-]
  • common name:
    • 3-oxo-auricoloyl-CoA
  • inchi key:
    • InChIKey=FGCWEBKTQLBCLR-JRSZCNINSA-J
  • molecular weight:
    • 1083.973
  • Synonym(s):
    • 3-oxo-(11Z,17Z)-14R-hydroxy-icosa-11,17-dienoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC=CCCC(O)CC=CCCCCCCCC(=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-" cannot be used as a page name in this wiki.