Difference between revisions of "CPD-14719"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-TRIMETHYLAMMONIOBUTANAL 4-TRIMETHYLAMMONIOBUTANAL] == * smiles: ** C(CC[CH]=O)[N+](C)(C)C * c...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14719 CPD-14719] == * smiles: ** CCCCCCCCCCCCCCCC[CH]=O * inchi key: ** InChIKey=PIYDVAYKYB...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-TRIMETHYLAMMONIOBUTANAL 4-TRIMETHYLAMMONIOBUTANAL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14719 CPD-14719] ==
 
* smiles:
 
* smiles:
−
** C(CC[CH]=O)[N+](C)(C)C
+
** CCCCCCCCCCCCCCCC[CH]=O
−
* common name:
+
−
** 4-trimethylammoniobutanal
+
 
* inchi key:
 
* inchi key:
−
** InChIKey=OITBLCDWXSXNCN-UHFFFAOYSA-N
+
** InChIKey=PIYDVAYKYBWPPY-UHFFFAOYSA-N
 +
* common name:
 +
** heptadecanal
 
* molecular weight:
 
* molecular weight:
−
** 130.209    
+
** 254.455    
 
* Synonym(s):
 
* Synonym(s):
−
** gamma-trimethylaminobutyraldehyde
 
−
** trimethylaminobutyraldehyde
 
−
** trimethyl-(4-oxobutyl)ammonium
 
−
** N,N,N-trimethyl-4-oxobutan-1-aminium
 
−
** 1-butanaminium, N,N,N-trimethyl-4-oxo-
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN66-476-CPD-14719/NAD/WATER//CPD-7830/NADH/PROTON.42.]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-9896]]
+
* [[RXN66-475-CPD-14717//CPD-14719/FORMYL-COA.32.]]
 
== 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=133 133]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71552 71552]
−
* HMDB : HMDB01345
+
* HMDB : HMDB31039
−
* LIGAND-CPD:
+
{{#set: smiles=CCCCCCCCCCCCCCCC[CH]=O}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C01149 C01149]
+
{{#set: inchi key=InChIKey=PIYDVAYKYBWPPY-UHFFFAOYSA-N}}
−
* CHEMSPIDER:
+
{{#set: common name=heptadecanal}}
−
** [http://www.chemspider.com/Chemical-Structure.130.html 130]
+
{{#set: molecular weight=254.455   }}
−
* CHEBI:
+
{{#set: consumed by=RXN66-476-CPD-14719/NAD/WATER//CPD-7830/NADH/PROTON.42.}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18020 18020]
+
{{#set: produced by=RXN66-475-CPD-14717//CPD-14719/FORMYL-COA.32.}}
−
* METABOLIGHTS : MTBLC18020
+
−
{{#set: smiles=C(CC[CH]=O)[N+](C)(C)C}}
+
−
{{#set: common name=4-trimethylammoniobutanal}}
+
−
{{#set: inchi key=InChIKey=OITBLCDWXSXNCN-UHFFFAOYSA-N}}
+
−
{{#set: molecular weight=130.209   }}
+
−
{{#set: common name=gamma-trimethylaminobutyraldehyde|trimethylaminobutyraldehyde|trimethyl-(4-oxobutyl)ammonium|N,N,N-trimethyl-4-oxobutan-1-aminium|1-butanaminium, N,N,N-trimethyl-4-oxo-}}
+
−
{{#set: produced by=RXN-9896}}
+

Latest revision as of 19:29, 21 March 2018

Metabolite CPD-14719

  • smiles:
    • CCCCCCCCCCCCCCCC[CH]=O
  • inchi key:
    • InChIKey=PIYDVAYKYBWPPY-UHFFFAOYSA-N
  • common name:
    • heptadecanal
  • molecular weight:
    • 254.455
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • HMDB : HMDB31039
"CCCCCCCCCCCCCCCC[CH]=O" cannot be used as a page name in this wiki.



Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-14719&oldid=41901"