BET

TRIMETHYL GLYCINE

Created: 1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge1
Atom Count20
Chiral Atom Count0
Bond Count19
Aromatic Bond Count0
2D diagram of BET
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Chemical Component Summary

NameTRIMETHYL GLYCINE
Systematic Name (OpenEye OEToolkits)carboxymethyl-trimethyl-azanium
FormulaC5 H12 N O2
Molecular Weight118.154
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C[N+](C)(C)C
SMILESCACTVS3.341C[N+](C)(C)CC(O)=O
SMILESOpenEye OEToolkits1.5.0C[N+](C)(C)CC(=O)O
Canonical SMILESCACTVS3.341 C[N+](C)(C)CC(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C[N+](C)(C)CC(=O)O
InChIInChI1.03 InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1
InChIKeyInChI1.03 KWIUHFFTVRNATP-UHFFFAOYSA-O

Drug Info: DrugBank

DrugBank IDDB04455 
NameN,N,N-trimethylglycinium
Groups
  • experimental
  • investigational
DescriptionA naturally occurring compound that has been of interest for its role in osmoregulation. As a drug, betaine hydrochloride has been used as a source of hydrochloric acid in the treatment of hypochlorhydria. Betaine has also been used in the treatment of liver disorders, for hyperkalemia, for homocystinuria, and for gastrointestinal disturbances. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1341)
SynonymsN,N,N-trimethylglycinium

Drug Targets

NameTarget SequencePharmacological ActionActions
Circadian clock protein KaiBMSPFKKTYVLKLYVAGNTPNSVRALKMLKNILEQEFQGVYALKVIDVLKN...unknown
Glycine betaine-binding periplasmic proteinMRHSVLFATAFATLISTQTFAADLPGKGITVNPVQSTITEETFQTLLVSR...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 248
ChEMBL CHEMBL95889
ChEBI CHEBI:41139
CCDC/CSD TULRIB, WIQQOC01, MOFNUT, MOGZEN, BETANB01, BETANC01, CEYCEO, NASQIH, NASQED01, NASQED, PIFPOM, TUHFUX, BAHLEC, QEWXUM, YIGMUY, NASQON, GUWXED, SIZKUJ, YESSUL, GUKYEQ, SAQHOH, YOYWUE, BETANC03, ZEJLEI, PILCAQ, WUZDIG01, SOVFOA, ZOYFAU, WUZDIG, CADMIF, WUZDIG02, BEZQII02, WUZDEC, ISEROQ, NAPWEK
COD 2101973