Difference between revisions of "CPD-14419"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17621 CPD-17621] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)COP(=O)(O...")
 
(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...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17621 CPD-17621] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14736 CPD-14736] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)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-]
+
** C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1)
 
* inchi key:
 
* inchi key:
−
** InChIKey=ROZGNNDROQHXPF-BBECNAHFSA-J
+
** InChIKey=YGPSJZOEDVAXAB-QMMMGPOBSA-N
 
* common name:
 
* common name:
−
** 16-hydroxypalmitoyl-CoA
+
** L-kynurenine
 
* molecular weight:
 
* molecular weight:
−
** 1017.914    
+
** 208.216    
 
* Synonym(s):
 
* Synonym(s):
−
** ω-hydroxy-hexadecanoyl-coenzyme A
+
** kynurenine
−
** ω-hydroxypalmitoyl-CoA
+
−
** 16-hydroxy-hexadecanoyl-CoA
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[KYNURENINE-3-MONOOXYGENASE-RXN]]
 +
* [[KYNURENINASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-16389]]
+
* [[ARYLFORMAMIDASE-RXN]]
 
== 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=86583440 86583440]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6971029 6971029]
 +
* HMDB : HMDB00684
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C01718 C01718]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=84207 84207]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57959 57959]
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)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-]}}
+
* METABOLIGHTS : MTBLC57959
−
{{#set: inchi key=InChIKey=ROZGNNDROQHXPF-BBECNAHFSA-J}}
+
{{#set: smiles=C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1)}}
−
{{#set: common name=16-hydroxypalmitoyl-CoA}}
+
{{#set: inchi key=InChIKey=YGPSJZOEDVAXAB-QMMMGPOBSA-N}}
−
{{#set: molecular weight=1017.914   }}
+
{{#set: common name=L-kynurenine}}
−
{{#set: common name=ω-hydroxy-hexadecanoyl-coenzyme A|ω-hydroxypalmitoyl-CoA|16-hydroxy-hexadecanoyl-CoA}}
+
{{#set: molecular weight=208.216   }}
−
{{#set: produced by=RXN-16389}}
+
{{#set: common name=kynurenine}}
 +
{{#set: consumed by=KYNURENINE-3-MONOOXYGENASE-RXN|KYNURENINASE-RXN}}
 +
{{#set: produced by=ARYLFORMAMIDASE-RXN}}
 +
{{#set: consumed or produced by=2.6.1.7-RXN}}

Revision as of 17:26, 10 January 2018

Metabolite CPD-14736

  • smiles:
    • C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1)
  • inchi key:
    • InChIKey=YGPSJZOEDVAXAB-QMMMGPOBSA-N
  • common name:
    • L-kynurenine
  • molecular weight:
    • 208.216
  • Synonym(s):
    • kynurenine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 343-65-7
  • PUBCHEM:
  • HMDB : HMDB00684
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57959
"C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1)" cannot be used as a page name in this wiki.




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