Difference between revisions of "CPD-11020"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12015 CPD-12015] == * smiles: ** CC(=O)NCCC1(C2(=C(NC=1)C=C(OS([O-])(=O)=O)C(OC)=C2)) * inc...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11020 CPD-11020] == * smiles: ** C(=O)([O-])C(=O)CC(O)CCl * inchi key: ** InChIKey=FHWPHVIG...")
 
(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=CPD-12015 CPD-12015] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11020 CPD-11020] ==
 
* smiles:
 
* smiles:
** CC(=O)NCCC1(C2(=C(NC=1)C=C(OS([O-])(=O)=O)C(OC)=C2))
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** C(=O)([O-])C(=O)CC(O)CCl
 
* inchi key:
 
* inchi key:
** InChIKey=QQEILXDLZRLTME-UHFFFAOYSA-M
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** InChIKey=FHWPHVIGZZAXIQ-VKHMYHEASA-M
 
* common name:
 
* common name:
** 6-sulfatoxymelatonin
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** 5-chloro-4-hydroxy-2-oxopentanoate
 
* molecular weight:
 
* molecular weight:
** 327.331    
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** 165.553    
 
* Synonym(s):
 
* Synonym(s):
** 6-sulphatoxymelatonin
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** 5-chloro-4-hydroxy-2-oxovalerate
** 6-hydroxymelatoninsulfate
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** 6-hydroxymelatonin sulfate ester
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** acetamide, N-(2-(5-methoxy-6-(sulfooxy)-1H-indol-3-yl)ethyl)-
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-11058]]
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* [[RXN-11717]]
 
== 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=65096 65096]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=49859580 49859580]
* CHEMSPIDER:
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{{#set: smiles=C(=O)([O-])C(=O)CC(O)CCl}}
** [http://www.chemspider.com/Chemical-Structure.58606.html 58606]
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{{#set: inchi key=InChIKey=FHWPHVIGZZAXIQ-VKHMYHEASA-M}}
* HMDB : HMDB41815
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{{#set: common name=5-chloro-4-hydroxy-2-oxopentanoate}}
{{#set: smiles=CC(=O)NCCC1(C2(=C(NC=1)C=C(OS([O-])(=O)=O)C(OC)=C2))}}
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{{#set: molecular weight=165.553   }}
{{#set: inchi key=InChIKey=QQEILXDLZRLTME-UHFFFAOYSA-M}}
+
{{#set: common name=5-chloro-4-hydroxy-2-oxovalerate}}
{{#set: common name=6-sulfatoxymelatonin}}
+
{{#set: produced by=RXN-11717}}
{{#set: molecular weight=327.331   }}
+
{{#set: common name=6-sulphatoxymelatonin|6-hydroxymelatoninsulfate|6-hydroxymelatonin sulfate ester|acetamide, N-(2-(5-methoxy-6-(sulfooxy)-1H-indol-3-yl)ethyl)-}}
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{{#set: produced by=RXN-11058}}
+

Latest revision as of 20:42, 21 March 2018

Metabolite CPD-11020

  • smiles:
    • C(=O)([O-])C(=O)CC(O)CCl
  • inchi key:
    • InChIKey=FHWPHVIGZZAXIQ-VKHMYHEASA-M
  • common name:
    • 5-chloro-4-hydroxy-2-oxopentanoate
  • molecular weight:
    • 165.553
  • Synonym(s):
    • 5-chloro-4-hydroxy-2-oxovalerate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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