Difference between revisions of "CPD-11020"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=UNDECAPRENYL-DIPHOSPHATE UNDECAPRENYL-DIPHOSPHATE] == * smiles: ** CC(=CCCC(=CCCC(=CCCC(C)=CCCC...")
 
(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=UNDECAPRENYL-DIPHOSPHATE UNDECAPRENYL-DIPHOSPHATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12015 CPD-12015] ==
 
* smiles:
 
* smiles:
−
** CC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP(=O)([O-])[O-])C)C)C
+
** CC(=O)NCCC1(C2(=C(NC=1)C=C(OS([O-])(=O)=O)C(OC)=C2))
 
* inchi key:
 
* inchi key:
−
** InChIKey=NTXGVHCCXVHYCL-NTDVEAECSA-K
+
** InChIKey=QQEILXDLZRLTME-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** di-trans,octa-cis-undecaprenyl diphosphate
+
** 6-sulfatoxymelatonin
 
* molecular weight:
 
* molecular weight:
−
** 924.251    
+
** 327.331    
 
* Synonym(s):
 
* Synonym(s):
−
** di-trans-poly-cis-undecaprenyl diphosphate
+
** 6-sulphatoxymelatonin
−
** undecaprenyl-PP (ambiguous)
+
** 6-hydroxymelatoninsulfate
−
** bactoprenyl pyrophosphate
+
** 6-hydroxymelatonin sulfate ester
−
** undecaprenyl pyrophosphate (ambiguous)
+
** acetamide, N-(2-(5-methoxy-6-(sulfooxy)-1H-indol-3-yl)ethyl)-
−
** UPP (ambiguous)
+
−
** di-trans,octa-cis-undecaprenyl diphosphate
+
  
 
== 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-8999]]
+
* [[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=25245563 25245563]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=65096 65096]
−
* CHEBI:
+
* CHEMSPIDER:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58405 58405]
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** [http://www.chemspider.com/Chemical-Structure.58606.html 58606]
−
* BIGG : 42055
+
* HMDB : HMDB41815
−
* LIGAND-CPD:
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{{#set: smiles=CC(=O)NCCC1(C2(=C(NC=1)C=C(OS([O-])(=O)=O)C(OC)=C2))}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C04574 C04574]
+
{{#set: inchi key=InChIKey=QQEILXDLZRLTME-UHFFFAOYSA-M}}
−
{{#set: smiles=CC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP(=O)([O-])[O-])C)C)C}}
+
{{#set: common name=6-sulfatoxymelatonin}}
−
{{#set: inchi key=InChIKey=NTXGVHCCXVHYCL-NTDVEAECSA-K}}
+
{{#set: molecular weight=327.331   }}
−
{{#set: common name=di-trans,octa-cis-undecaprenyl diphosphate}}
+
{{#set: common name=6-sulphatoxymelatonin|6-hydroxymelatoninsulfate|6-hydroxymelatonin sulfate ester|acetamide, N-(2-(5-methoxy-6-(sulfooxy)-1H-indol-3-yl)ethyl)-}}
−
{{#set: molecular weight=924.251   }}
+
{{#set: produced by=RXN-11058}}
−
{{#set: common name=di-trans-poly-cis-undecaprenyl diphosphate|undecaprenyl-PP (ambiguous)|bactoprenyl pyrophosphate|undecaprenyl pyrophosphate (ambiguous)|UPP (ambiguous)|di-trans,octa-cis-undecaprenyl diphosphate}}
+
−
{{#set: produced by=RXN-8999}}
+

Revision as of 22:37, 17 March 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

  • PUBCHEM:
  • CHEMSPIDER:
  • HMDB : HMDB41815
"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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