Difference between revisions of "CPD-14419"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14736 CPD-14736] == * smiles: ** C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1) * inchi key: ** I...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14419 CPD-14419] == * smiles: ** CCC=CCC=CCC=CCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)...")
 
(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-14736 CPD-14736] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14419 CPD-14419] ==
 
* smiles:
 
* smiles:
** C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1)
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** CCC=CCC=CCC=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=YGPSJZOEDVAXAB-QMMMGPOBSA-N
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* common name:
 
* common name:
** L-kynurenine
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** 3R-hydroxy-icosatrienoyl-CoA
 +
* inchi key:
 +
** InChIKey=AUKMTTJFPKEFDQ-IVICTRQZSA-J
 
* molecular weight:
 
* molecular weight:
** 208.216    
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** 1067.974    
 
* Synonym(s):
 
* Synonym(s):
** kynurenine
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** 3R-hydroxy-(9Z,12Z,15Z)-octadecatrienoyl-CoA
 +
** 3R-hydroxy-eicosatrienoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[KYNURENINE-3-MONOOXYGENASE-RXN]]
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* [[RXN-13001]]
* [[KYNURENINASE-RXN]]
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== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[ARYLFORMAMIDASE-RXN]]
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* [[RXN-12994]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[2.6.1.7-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 343-65-7
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6971029 6971029]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72551536 72551536]
* HMDB : HMDB00684
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C01718 C01718]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57959 57959]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76455 76455]
* METABOLIGHTS : MTBLC57959
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{{#set: smiles=CCC=CCC=CCC=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-]}}
{{#set: smiles=C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1)}}
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{{#set: common name=3R-hydroxy-icosatrienoyl-CoA}}
{{#set: inchi key=InChIKey=YGPSJZOEDVAXAB-QMMMGPOBSA-N}}
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{{#set: inchi key=InChIKey=AUKMTTJFPKEFDQ-IVICTRQZSA-J}}
{{#set: common name=L-kynurenine}}
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{{#set: molecular weight=1067.974   }}
{{#set: molecular weight=208.216   }}
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{{#set: common name=3R-hydroxy-(9Z,12Z,15Z)-octadecatrienoyl-CoA|3R-hydroxy-eicosatrienoyl-CoA}}
{{#set: common name=kynurenine}}
+
{{#set: consumed by=RXN-13001}}
{{#set: consumed by=KYNURENINE-3-MONOOXYGENASE-RXN|KYNURENINASE-RXN}}
+
{{#set: produced by=RXN-12994}}
{{#set: produced by=ARYLFORMAMIDASE-RXN}}
+
{{#set: consumed or produced by=2.6.1.7-RXN}}
+

Latest revision as of 20:18, 21 March 2018

Metabolite CPD-14419

  • smiles:
    • CCC=CCC=CCC=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:
    • 3R-hydroxy-icosatrienoyl-CoA
  • inchi key:
    • InChIKey=AUKMTTJFPKEFDQ-IVICTRQZSA-J
  • molecular weight:
    • 1067.974
  • Synonym(s):
    • 3R-hydroxy-(9Z,12Z,15Z)-octadecatrienoyl-CoA
    • 3R-hydroxy-eicosatrienoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC=CCC=CCC=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.