Difference between revisions of "Tiso gene 8756"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13910 CPD-13910] == * smiles: ** C1(OC(=O)C(=O)OC(C(O)C(=O)[O-])1) * inchi key: ** InChIKey...")
 
(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...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13910 CPD-13910] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12015 CPD-12015] ==
 
* smiles:
 
* smiles:
−
** C1(OC(=O)C(=O)OC(C(O)C(=O)[O-])1)
+
** CC(=O)NCCC1(C2(=C(NC=1)C=C(OS([O-])(=O)=O)C(OC)=C2))
 
* inchi key:
 
* inchi key:
−
** InChIKey=FTDFTFXOJYXVTH-UHFFFAOYSA-M
+
** InChIKey=QQEILXDLZRLTME-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** cyclic- 3,4-O-oxalyl-L-threonate
+
** 6-sulfatoxymelatonin
 
* molecular weight:
 
* molecular weight:
−
** 189.101    
+
** 327.331    
 
* Synonym(s):
 
* Synonym(s):
−
** 3,4-cyclic oxalyl theronolactone
+
** 6-sulphatoxymelatonin
 +
** 6-hydroxymelatoninsulfate
 +
** 6-hydroxymelatonin sulfate ester
 +
** 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-12872]]
+
* [[RXN-11058]]
 
== 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=90658084 90658084]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=38988602 38988602]
−
{{#set: smiles=C1(OC(=O)C(=O)OC(C(O)C(=O)[O-])1)}}
+
* CHEMSPIDER:
−
{{#set: inchi key=InChIKey=FTDFTFXOJYXVTH-UHFFFAOYSA-M}}
+
** [http://www.chemspider.com/Chemical-Structure.58606.html 58606]
−
{{#set: common name=cyclic- 3,4-O-oxalyl-L-threonate}}
+
* HMDB : HMDB41815
−
{{#set: molecular weight=189.101   }}
+
{{#set: smiles=CC(=O)NCCC1(C2(=C(NC=1)C=C(OS([O-])(=O)=O)C(OC)=C2))}}
−
{{#set: common name=3,4-cyclic oxalyl theronolactone}}
+
{{#set: inchi key=InChIKey=QQEILXDLZRLTME-UHFFFAOYSA-M}}
−
{{#set: produced by=RXN-12872}}
+
{{#set: common name=6-sulfatoxymelatonin}}
 +
{{#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)-}}
 +
{{#set: produced by=RXN-11058}}

Revision as of 17:05, 10 January 2018

Metabolite CPD-12015

  • smiles:
    • CC(=O)NCCC1(C2(=C(NC=1)C=C(OS([O-])(=O)=O)C(OC)=C2))
  • inchi key:
    • InChIKey=QQEILXDLZRLTME-UHFFFAOYSA-M
  • common name:
    • 6-sulfatoxymelatonin
  • molecular weight:
    • 327.331
  • Synonym(s):
    • 6-sulphatoxymelatonin
    • 6-hydroxymelatoninsulfate
    • 6-hydroxymelatonin sulfate ester
    • acetamide, N-(2-(5-methoxy-6-(sulfooxy)-1H-indol-3-yl)ethyl)-

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(=O)NCCC1(C2(=C(NC=1)C=C(OS([O-])(=O)=O)C(OC)=C2))" cannot be used as a page name in this wiki.



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