Showing Metabocard for glycine betaine (BASm0001063)

Common Name

Glycine betaine

Description

true

Structure

Molecular Formula

C₅H₁₂NO₂

Average Mass

118.15430

Monoisotopic Mass

118.08680

IUPAC Name

2-(trimethylazaniumyl)acetate

Traditional Name

Betaine

CAS Registry Number

6915-17-9

SMILES

C[N+](C)(C)CC(=O)[O-]

InChI Identifier

InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1

InChI Key

KWIUHFFTVRNATP-UHFFFAOYSA-O

CHEBI ID

CHEBI:17750

HMDB ID

HMDB0000043

Pathways

Name	SMPDB/PathBank
Glycine, serine and threonine metabolism
Glycine, serine and threonine metabolism
Methionine Metabolism
Cystathionine Beta-Synthase Deficiency
Dihydropyrimidine Dehydrogenase Deficiency (DHPD)
S-Adenosylhomocysteine (SAH) Hydrolase Deficiency
Methionine Adenosyltransferase Deficiency
Glycine N-methyltransferase Deficiency
Non Ketotic Hyperglycinemia
Dimethylglycine Dehydrogenase Deficiency
Sarcosinemia
Methylenetetrahydrofolate Reductase Deficiency (MTHFRD)
Hypermethioninemia
Dimethylglycine Dehydrogenase Deficiency
Hyperglycinemia, non-ketotic
Homocystinuria-megaloblastic anemia due to defect in cobalamin metabolism, cblG complementation type
3-Phosphoglycerate dehydrogenase deficiency
Sarcosine Oncometabolite Pathway

State

Not Available

Water Solubility

1.86e+00 g/l

logP

-2.70

logS

-1.96

pKa (Strongest Acidic)

2.26

pKa (Strongest Basic)

Not Available

Hydrogen Acceptor Count

Hydrogen Donor Count

Polar Surface Area

40.13 Å²

Rotatable Bond Count

Physiological Charge

Formal Charge

Refractivity

52.82 m³·mol⁻¹

Polarizability

12.11

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