Difference between revisions of "INDOLE ACETALDEHYDE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=B-ALANINE B-ALANINE] == * common name: ** β-alanine * inchi key: ** InChIKey=UCMIRNVEIXFBK...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INDOLE_ACETALDEHYDE INDOLE_ACETALDEHYDE] == * common name: ** (indol-3-yl)acetaldehyde * inchi...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=B-ALANINE B-ALANINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INDOLE_ACETALDEHYDE INDOLE_ACETALDEHYDE] ==
 
* common name:
 
* common name:
** β-alanine
+
** (indol-3-yl)acetaldehyde
 
* inchi key:
 
* inchi key:
** InChIKey=UCMIRNVEIXFBKS-UHFFFAOYSA-N
+
** InChIKey=WHOOUMGHGSPMGR-UHFFFAOYSA-N
 
* smiles:
 
* smiles:
** C(C[N+])C([O-])=O
+
** [CH](=O)CC1(C2(C(NC=1)=CC=CC=2))
 
* molecular weight:
 
* molecular weight:
** 89.094    
+
** 159.187    
 
* Synonym(s):
 
* Synonym(s):
** 3-azaniumylpropanoate
+
** indole-3-acetaldehyde
** 3-ammoniopropanoate
+
** 2-(indol-3-yl)acetaldehyde
 +
** indole acetaldehyde
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-10715]]
 
== 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-2901]]
 
 
== External links  ==
 
== External links  ==
 +
* METABOLIGHTS : MTBLC18086
 +
* HMDB : HMDB01190
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18086 18086]
 +
* CAS : 2591-98-2
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4755801 4755801]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=800 800]
* METABOLIGHTS : MTBLC57966
+
* REFMET : Indoleacetaldehyde
* HMDB : HMDB00056
 
* CAS : 107-95-9
 
* BIGG : ala_B
 
* REFMET : Beta-Alanine
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00099 C00099]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00637 C00637]
* CHEBI:
+
* CHEMSPIDER:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57966 57966]
+
** [http://www.chemspider.com/Chemical-Structure.778.html 778]
{{#set: common name=β-alanine}}
+
{{#set: common name=(indol-3-yl)acetaldehyde}}
{{#set: inchi key=InChIKey=UCMIRNVEIXFBKS-UHFFFAOYSA-N}}
+
{{#set: inchi key=InChIKey=WHOOUMGHGSPMGR-UHFFFAOYSA-N}}
{{#set: smiles=C(C[N+])C([O-])=O}}
+
{{#set: smiles=[CH](=O)CC1(C2(C(NC=1)=CC=CC=2))}}
{{#set: molecular weight=89.094   }}
+
{{#set: molecular weight=159.187   }}
{{#set: common name=3-azaniumylpropanoate|3-ammoniopropanoate}}
+
{{#set: common name=indole-3-acetaldehyde|2-(indol-3-yl)acetaldehyde|indole acetaldehyde}}
{{#set: reversible reaction associated=RXN-2901}}
+
{{#set: consumed by=RXN-10715}}

Latest revision as of 14:17, 15 January 2021

Metabolite INDOLE_ACETALDEHYDE

  • common name:
    • (indol-3-yl)acetaldehyde
  • inchi key:
    • InChIKey=WHOOUMGHGSPMGR-UHFFFAOYSA-N
  • smiles:
    • [CH](=O)CC1(C2(C(NC=1)=CC=CC=2))
  • molecular weight:
    • 159.187
  • Synonym(s):
    • indole-3-acetaldehyde
    • 2-(indol-3-yl)acetaldehyde
    • indole acetaldehyde

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • METABOLIGHTS : MTBLC18086
  • HMDB : HMDB01190
  • CHEBI:
  • CAS : 2591-98-2
  • PUBCHEM:
  • REFMET : Indoleacetaldehyde
  • LIGAND-CPD:
  • CHEMSPIDER:


Property "Smiles" (as page type) with input value "CH](=O)CC1(C2(C(NC=1)=CC=CC=2))" contains invalid characters or is incomplete and therefore can cause unexpected results during a query or annotation process.