Covpdb









Ligand
Ligand Name:   BETAINE ALDEHYDE
Ligand Type:   non-polymer
Ligand ID:   COVPDB585 PubChem:   249
Synonym(s):  
  •   glycine betaine aldehyde
  • 7418-61-3
  • trimethyl(formylmethyl)ammonium
  • betaine-aldehyde
  • trimethyl(2-oxoethyl)azanium
  • unii-dei7v5x7rb
  • dei7v5x7rb
  • (formylmethyl)trimethylammonium
  • betaine aldehyde, chloride salt
  • chebi:15710
  • n,n,n-trimethyl-2-oxoethanaminium
  • btl
  • ethanaminium, n,n,n-trimethyl-2-oxo-
  • [formylmethyl]trimethyl-ammonium, n,n,n-trimethylammonium acetaldehyde
  • lopac-b-3650
  • bmse000070
  • lopac0_000182
  • schembl94563
  • trimethyl-(2-oxoethyl)azanium
  • (formylmethyl)trimethyl-ammonium
  • chembl1231491
  • dtxsid20225152
  • n,n,n-trimethyl-2-oxoethylammonium
  • n,n,n-trimethyl-2-oxo ethanaminium
  • n,n,n-trimethyl-2-oxo-ethanaminium
  • ethanaminium, n,n,n-trimethyl-2-oxo
  • akos015915257
  • zinc100015771
  • ccg-204277
  • db04401
  • ncgc00015151-01
  • ncgc00015151-02
  • ncgc00015151-03
  • ncgc00015151-04
  • ncgc00162083-01
  • ammonium, (formylmethyl)trimethyl- (8ci)
  • ft-0659193
  • c00576
  • ethanaminium, n,n,n-trimethyl-2-oxo- (9ci)
  • q10859645
  • [formylmethyl]trimethyl-ammonium; n,n,n-trimethyl ammonium acetaldehyde
show 40 synonym(s)
DrugBank:   DB04401 ChEMBL:   CHEMBL1231491
Canonical SMILES:   C[N+](C)(C)CC=O
Standard InChI:   InChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1
Molecular Formula:   C5H12NO+ Mol. Weight:   102.09134 logP:   -0.1085
HBD:   0 HBA:   1
#Rotatable Bonds:   2 TPSA:   17.07

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Choline trimethylamine-lyase Q30W70 (CUTC_DESAG) Desulfovibrio alaskensis (strain ATCC BAA 1058 / DSM 17464 / G20) (Desulfovibrio desulfuricans (strain G20)) 6ND3 BTL
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