Difference between revisions of "PWY-5874"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14719 CPD-14719] == * smiles: ** CCCCCCCCCCCCCCCC[CH]=O * common name: ** heptadecanal * in...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BETAINE_ALDEHYDE BETAINE_ALDEHYDE] == * smiles: ** C[N+](C)(C[CH]=O)C * inchi key: ** InChIKey=...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14719 CPD-14719] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BETAINE_ALDEHYDE BETAINE_ALDEHYDE] ==
 
* smiles:
 
* smiles:
** CCCCCCCCCCCCCCCC[CH]=O
+
** C[N+](C)(C[CH]=O)C
* common name:
+
** heptadecanal
+
 
* inchi key:
 
* inchi key:
** InChIKey=PIYDVAYKYBWPPY-UHFFFAOYSA-N
+
** InChIKey=SXKNCCSPZDCRFD-UHFFFAOYSA-N
 +
* common name:
 +
** betaine aldehyde
 
* molecular weight:
 
* molecular weight:
** 254.455    
+
** 102.156    
 
* Synonym(s):
 
* Synonym(s):
 +
** glycine betaine aldehyde
 +
** N,N,N-trimethyl-2-oxoethylammonium
  
 
== 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 ==
* [[RXN66-475-CPD-14717//CPD-14719/FORMYL-COA.32.]]
+
* [[RXN0-7230]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[BADH-RXN]]
 +
* [[CHD-RXN]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 7418-61-3
 +
* METABOLIGHTS : MTBLC15710
 +
* DRUGBANK : DB04401
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71552 71552]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=249 249]
* HMDB : HMDB31039
+
* HMDB : HMDB01252
{{#set: smiles=CCCCCCCCCCCCCCCC[CH]=O}}
+
* LIGAND-CPD:
{{#set: common name=heptadecanal}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C00576 C00576]
{{#set: inchi key=InChIKey=PIYDVAYKYBWPPY-UHFFFAOYSA-N}}
+
* CHEMSPIDER:
{{#set: molecular weight=254.455   }}
+
** [http://www.chemspider.com/Chemical-Structure.244.html 244]
{{#set: consumed by=RXN66-476-CPD-14719/NAD/WATER//CPD-7830/NADH/PROTON.42.}}
+
* CHEBI:
{{#set: produced by=RXN66-475-CPD-14717//CPD-14719/FORMYL-COA.32.}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15710 15710]
 +
* BIGG : betald
 +
{{#set: smiles=C[N+](C)(C[CH]=O)C}}
 +
{{#set: inchi key=InChIKey=SXKNCCSPZDCRFD-UHFFFAOYSA-N}}
 +
{{#set: common name=betaine aldehyde}}
 +
{{#set: molecular weight=102.156   }}
 +
{{#set: common name=glycine betaine aldehyde|N,N,N-trimethyl-2-oxoethylammonium}}
 +
{{#set: produced by=RXN0-7230}}
 +
{{#set: consumed or produced by=BADH-RXN|CHD-RXN}}

Revision as of 11:06, 18 January 2018

Metabolite BETAINE_ALDEHYDE

  • smiles:
    • C[N+](C)(C[CH]=O)C
  • inchi key:
    • InChIKey=SXKNCCSPZDCRFD-UHFFFAOYSA-N
  • common name:
    • betaine aldehyde
  • molecular weight:
    • 102.156
  • Synonym(s):
    • glycine betaine aldehyde
    • N,N,N-trimethyl-2-oxoethylammonium

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 7418-61-3
  • METABOLIGHTS : MTBLC15710
  • DRUGBANK : DB04401
  • PUBCHEM:
  • HMDB : HMDB01252
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : betald
"C[N+](C)(C[CH]=O)C" cannot be used as a page name in this wiki.