Difference between revisions of "INDOLEYL-CPD"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COPROPORPHYRINOGEN_I COPROPORPHYRINOGEN_I] == * smiles: ** CC1(=C2(CC5(=C(CCC([O-])=O)C(C)=C(CC...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INDOLEYL-CPD INDOLEYL-CPD] == * smiles: ** C2(NC1(C=CC=CC=1C(CC#N)=2)) * inchi key: ** InChIKey...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COPROPORPHYRINOGEN_I COPROPORPHYRINOGEN_I] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INDOLEYL-CPD INDOLEYL-CPD] ==
 
* smiles:
 
* smiles:
−
** CC1(=C2(CC5(=C(CCC([O-])=O)C(C)=C(CC4(=C(CCC([O-])=O)C(C)=C(CC3(=C(CCC([O-])=O)C(C)=C(CC(=C(CCC([O-])=O)1)N2)N3))N4))N5)))
+
** C2(NC1(C=CC=CC=1C(CC#N)=2))
 
* inchi key:
 
* inchi key:
−
** InChIKey=WIUGGJKHYQIGNH-UHFFFAOYSA-J
+
** InChIKey=DMCPFOBLJMLSNX-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** coproporphyrinogen I
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** indole-3-acetonitrile
 
* molecular weight:
 
* molecular weight:
−
** 656.734    
+
** 156.187    
 
* Synonym(s):
 
* Synonym(s):
 +
** IAN
 +
** indole-3-ylacetonitrile
 +
** 3-indoleacetonitrile
 +
** (indole-3-yl)acetonitrile
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-1404]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-10642]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=20849147 20849147]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=351795 351795]
 +
* KNAPSACK : C00000107
 +
* HMDB : HMDB06524
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C02938 C02938]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.20171594.html 20171594]
+
** [http://www.chemspider.com/Chemical-Structure.312357.html 312357]
 
* CHEBI:
 
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62631 62631]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17566 17566]
−
* LIGAND-CPD:
+
* METABOLIGHTS : MTBLC17566
−
** [http://www.genome.jp/dbget-bin/www_bget?C05768 C05768]
+
{{#set: smiles=C2(NC1(C=CC=CC=1C(CC#N)=2))}}
−
* HMDB : HMDB02158
+
{{#set: inchi key=InChIKey=DMCPFOBLJMLSNX-UHFFFAOYSA-N}}
−
{{#set: smiles=CC1(=C2(CC5(=C(CCC([O-])=O)C(C)=C(CC4(=C(CCC([O-])=O)C(C)=C(CC3(=C(CCC([O-])=O)C(C)=C(CC(=C(CCC([O-])=O)1)N2)N3))N4))N5)))}}
+
{{#set: common name=indole-3-acetonitrile}}
−
{{#set: inchi key=InChIKey=WIUGGJKHYQIGNH-UHFFFAOYSA-J}}
+
{{#set: molecular weight=156.187   }}
−
{{#set: common name=coproporphyrinogen I}}
+
{{#set: common name=IAN|indole-3-ylacetonitrile|3-indoleacetonitrile|(indole-3-yl)acetonitrile}}
−
{{#set: molecular weight=656.734   }}
+
{{#set: consumed by=RXN-1404}}
−
{{#set: reversible reaction associated=RXN-10642}}
+

Latest revision as of 19:20, 21 March 2018

Metabolite INDOLEYL-CPD

  • smiles:
    • C2(NC1(C=CC=CC=1C(CC#N)=2))
  • inchi key:
    • InChIKey=DMCPFOBLJMLSNX-UHFFFAOYSA-N
  • common name:
    • indole-3-acetonitrile
  • molecular weight:
    • 156.187
  • Synonym(s):
    • IAN
    • indole-3-ylacetonitrile
    • 3-indoleacetonitrile
    • (indole-3-yl)acetonitrile

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • KNAPSACK : C00000107
  • HMDB : HMDB06524
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC17566




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