Difference between revisions of "CPD-2747"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-237 CPD-237] == * smiles: ** C1(=C(CC(N)=O)C2(=CC=CC=C(N1)2)) * inchi key: ** InChIKey=ZOAM...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-2747 CPD-2747] == * smiles: ** C1(=O)(CC[CH](N(C)1)C3(C=[N+](C2(C(C(C(C(O2)C([O-])=O)O)O)O)...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-237 CPD-237] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-2747 CPD-2747] ==
 
* smiles:
 
* smiles:
−
** C1(=C(CC(N)=O)C2(=CC=CC=C(N1)2))
+
** C1(=O)(CC[CH](N(C)1)C3(C=[N+](C2(C(C(C(C(O2)C([O-])=O)O)O)O))C=CC=3))
−
* inchi key:
+
−
** InChIKey=ZOAMBXDOGPRZLP-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
−
** indole-3-acetamide
+
** cotinine-glucuronide
 +
* inchi key:
 +
** InChIKey=XWZCZWKUGIQPJD-CVRQRIFOSA-N
 
* molecular weight:
 
* molecular weight:
−
** 174.202    
+
** 352.343    
 
* Synonym(s):
 
* Synonym(s):
−
** 1H-indole-3-acetamide
 
−
** indoleacetamide
 
−
** (indol-3-yl)acetamide
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXNN-404]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-7567]]
+
* [[RXN66-168]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 879-37-8
 
−
* DRUGBANK : DB08652
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=397 397]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91820250 91820250]
−
* HMDB : HMDB29739
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* HMDB : HMDB01013
−
* LIGAND-CPD:
+
{{#set: smiles=C1(=O)(CC[CH](N(C)1)C3(C=[N+](C2(C(C(C(C(O2)C([O-])=O)O)O)O))C=CC=3))}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C02693 C02693]
+
{{#set: common name=cotinine-glucuronide}}
−
* CHEMSPIDER:
+
{{#set: inchi key=InChIKey=XWZCZWKUGIQPJD-CVRQRIFOSA-N}}
−
** [http://www.chemspider.com/Chemical-Structure.386.html 386]
+
{{#set: molecular weight=352.343   }}
−
* CHEBI:
+
{{#set: produced by=RXN66-168}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16031 16031]
+
−
* METABOLIGHTS : MTBLC16031
+
−
{{#set: smiles=C1(=C(CC(N)=O)C2(=CC=CC=C(N1)2))}}
+
−
{{#set: inchi key=InChIKey=ZOAMBXDOGPRZLP-UHFFFAOYSA-N}}
+
−
{{#set: common name=indole-3-acetamide}}
+
−
{{#set: molecular weight=174.202   }}
+
−
{{#set: common name=1H-indole-3-acetamide|indoleacetamide|(indol-3-yl)acetamide}}
+
−
{{#set: consumed by=RXNN-404}}
+
−
{{#set: produced by=RXN-7567}}
+

Latest revision as of 19:52, 21 March 2018

Metabolite CPD-2747

  • smiles:
    • C1(=O)(CC[CH](N(C)1)C3(C=[N+](C2(C(C(C(C(O2)C([O-])=O)O)O)O))C=CC=3))
  • common name:
    • cotinine-glucuronide
  • inchi key:
    • InChIKey=XWZCZWKUGIQPJD-CVRQRIFOSA-N
  • molecular weight:
    • 352.343
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C1(=O)(CC[CH](N(C)1)C3(C=[N+](C2(C(C(C(C(O2)C([O-])=O)O)O)O))C=CC=3))" cannot be used as a page name in this wiki.



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