Difference between revisions of "CPD-237"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=6-DEMETHYLSTERIGMATOCYSTIN 6-DEMETHYLSTERIGMATOCYSTIN] == * smiles: ** C5(=C[CH]4(C3(=C(C=C(C2(...")
 
(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)) * common name: ** indole-3-ac...")
 
(3 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=6-DEMETHYLSTERIGMATOCYSTIN 6-DEMETHYLSTERIGMATOCYSTIN] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-237 CPD-237] ==
 
* smiles:
 
* smiles:
** C5(=C[CH]4(C3(=C(C=C(C2(C(C1(C(=CC=CC=1OC=23)O))=O))O)O[CH]4O5)))
+
** C1(=C(CC(N)=O)C2(=CC=CC=C(N1)2))
* inchi key:
+
** InChIKey=RQQOEIJLJPCYJR-BWKAKNAASA-N
+
 
* common name:
 
* common name:
** 6-demethylsterigmatocystin
+
** indole-3-acetamide
 +
* inchi key:
 +
** InChIKey=ZOAMBXDOGPRZLP-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
** 310.262    
+
** 174.202    
 
* 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 ==
* [[2.1.1.109-RXN]]
+
* [[RXNN-404]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-7567]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* LIPID_MAPS : LMPK10000002
+
* CAS : 879-37-8
 +
* DRUGBANK : DB08652
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280620 5280620]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=397 397]
* HMDB : HMDB33657
+
* HMDB : HMDB29739
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C03683 C03683]
+
** [http://www.genome.jp/dbget-bin/www_bget?C02693 C02693]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.4444228.html 4444228]
+
** [http://www.chemspider.com/Chemical-Structure.386.html 386]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18236 18236]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16031 16031]
* METABOLIGHTS : MTBLC18236
+
* METABOLIGHTS : MTBLC16031
{{#set: smiles=C5(=C[CH]4(C3(=C(C=C(C2(C(C1(C(=CC=CC=1OC=23)O))=O))O)O[CH]4O5)))}}
+
{{#set: smiles=C1(=C(CC(N)=O)C2(=CC=CC=C(N1)2))}}
{{#set: inchi key=InChIKey=RQQOEIJLJPCYJR-BWKAKNAASA-N}}
+
{{#set: common name=indole-3-acetamide}}
{{#set: common name=6-demethylsterigmatocystin}}
+
{{#set: inchi key=InChIKey=ZOAMBXDOGPRZLP-UHFFFAOYSA-N}}
{{#set: molecular weight=310.262    }}
+
{{#set: molecular weight=174.202    }}
{{#set: consumed by=2.1.1.109-RXN}}
+
{{#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 19:51, 21 March 2018

Metabolite CPD-237

  • smiles:
    • C1(=C(CC(N)=O)C2(=CC=CC=C(N1)2))
  • common name:
    • indole-3-acetamide
  • inchi key:
    • InChIKey=ZOAMBXDOGPRZLP-UHFFFAOYSA-N
  • molecular weight:
    • 174.202
  • Synonym(s):
    • 1H-indole-3-acetamide
    • indoleacetamide
    • (indol-3-yl)acetamide

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 879-37-8
  • DRUGBANK : DB08652
  • PUBCHEM:
  • HMDB : HMDB29739
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC16031