Difference between revisions of "CPD-9897"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXY-L-KYNURENINE 3-HYDROXY-L-KYNURENINE] == * smiles: ** C([O-])(=O)C([N+])CC(=O)C1(=C(N)...")
 
 
(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=3-HYDROXY-L-KYNURENINE 3-HYDROXY-L-KYNURENINE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9897 CPD-9897] ==
 
* smiles:
 
* smiles:
** C([O-])(=O)C([N+])CC(=O)C1(=C(N)C(O)=CC=C1)
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** CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(C([O-])=O)=C1)O))C)C)C)C)C)C)C)C)C)C
 +
* molecular weight:
 +
** 848.323   
 
* inchi key:
 
* inchi key:
** InChIKey=VCKPUUFAIGNJHC-LURJTMIESA-N
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** InChIKey=WCQCNOIKXGNDLX-RDSVHMIISA-M
 
* common name:
 
* common name:
** 3-hydroxy-L-kynurenine
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** 3-methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate
* molecular weight:
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** 224.216   
+
 
* Synonym(s):
 
* Synonym(s):
** L-3-hydroxykynurenine
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** 3-methoxy-4-hydroxy-5-decaprenylbenzoate
** 3-hydroxy-kynurenine
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** 3-(3,7,11,15,19,23-decamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid
 +
** 3-decaprenyl-4-hydroxy-5-methoxybenzoate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[3-HYDROXY-KYNURENINASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[KYNURENINE-3-MONOOXYGENASE-RXN]]
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* [[RXN-9282]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 606-14-4
 
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=49791998 49791998]
 
* HMDB : HMDB11631
 
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C02794 C02794]
 
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58125 58125]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62796 62796]
* METABOLIGHTS : MTBLC58125
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* PUBCHEM:
{{#set: smiles=C([O-])(=O)C([N+])CC(=O)C1(=C(N)C(O)=CC=C1)}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54738023 54738023]
{{#set: inchi key=InChIKey=VCKPUUFAIGNJHC-LURJTMIESA-N}}
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{{#set: smiles=CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(C([O-])=O)=C1)O))C)C)C)C)C)C)C)C)C)C}}
{{#set: common name=3-hydroxy-L-kynurenine}}
+
{{#set: molecular weight=848.323    }}
{{#set: molecular weight=224.216    }}
+
{{#set: inchi key=InChIKey=WCQCNOIKXGNDLX-RDSVHMIISA-M}}
{{#set: common name=L-3-hydroxykynurenine|3-hydroxy-kynurenine}}
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{{#set: common name=3-methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate}}
{{#set: consumed by=3-HYDROXY-KYNURENINASE-RXN}}
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{{#set: common name=3-methoxy-4-hydroxy-5-decaprenylbenzoate|3-(3,7,11,15,19,23-decamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid|3-decaprenyl-4-hydroxy-5-methoxybenzoate}}
{{#set: produced by=KYNURENINE-3-MONOOXYGENASE-RXN}}
+
{{#set: produced by=RXN-9282}}

Latest revision as of 18:49, 9 January 2019

Metabolite CPD-9897

  • smiles:
    • CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(C([O-])=O)=C1)O))C)C)C)C)C)C)C)C)C)C
  • molecular weight:
    • 848.323
  • inchi key:
    • InChIKey=WCQCNOIKXGNDLX-RDSVHMIISA-M
  • common name:
    • 3-methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate
  • Synonym(s):
    • 3-methoxy-4-hydroxy-5-decaprenylbenzoate
    • 3-(3,7,11,15,19,23-decamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid
    • 3-decaprenyl-4-hydroxy-5-methoxybenzoate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(C([O-])=O)=C1)O))C)C)C)C)C)C)C)C)C)C" cannot be used as a page name in this wiki.