UCSF

ZINC01532728

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 8 No

Popular Name: betaine betaine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 107-43-7 , 17146-86-0 , 590-46-5 , 590-46-5, 107-43-7 [betai , 590-46-5, 141-58-2 [replaced], 107-43-7 [betaine] , 590-47-6 , [107-43-7] , [590-46-5]

Other Names:

"Betaine monohydrate, 99%"

"Betaine, 98%"

(Carboxymethyl)trimethylammonium chloride

(Carboxymethyl)trimethylammonium chloride; 1-Carboxy-N,N,N-trimethylmethanaminium, chloride; AI3-18301; Achylin; Acidin; Acidine; Acidogeno; Acidol; Acidol hydrochloride; Acidol-pepsin; Acinorm; Acipepsol; Aciventral forte; Ammonium, (carboxymethyl)trimet

(Carboxymethyl)trimethylammonium hydrochloride

(Carboxymethyl)trimethylammonium hydroxide inner salt; (Trimethylammonio)acetate; 1-carboxy-N,N,N-trimethyl-Methanaminium; 1-carboxy-N,N,N-trimethyl-Methanaminium hydroxide; 1-Carboxy-N,N,N-trimethylmethanaminium inner salt; a-Earleine; Abromine; alpha-Ea

(Carboxymethyl)trimethylammonium hydroxide inner salt; (Trimethylammonio)acetate; 1-Carboxy-N,N,N-trimethyl-Methanaminium; 1-Carboxy-N,N,N-trimethyl-Methanaminium hydroxide; 1-Carboxy-N,N,N-trimethylmethanaminium inner salt; Abromine; Aminocoat; Betafin

(Carboxymethyl)trimethylammonium hydroxide inner salt;(Trimethylammonio)acetate;1-Carboxy-N,N,N-trimethyl-Methanaminium;1-Carboxy-N,N,N-trimethyl-Methanaminium hydroxide;1-Carboxy-N,N,N-trimethylmethanaminium inner salt;a-Earleine;Abromine;alpha-Earleine

(Carboxymethyl)trimethylammonium hydroxide inner salt;(Trimethylammonio)acetate;1-Carboxy-N,N,N-trimethyl-Methanaminium;1-Carboxy-N,N,N-trimethyl-Methanaminium hydroxide;1-Carboxy-N,N,N-trimethylmethanaminium inner salt;Abromine;Aminocoat;Betafin;Betafin

(Carboxymethyl)trimethylammonium hydroxide, inner salt; 1-Carboxy-N,N,N-trimethylmethanaminium hydroxide, inner salt; 2-(Trimethylammonio)ethanoic acid, hydroxide, inner salt; Abromine; Betaine; Glycine betaine; Glycine, trimethylbetaine; Glycocoll betain

(Carboxymethyl)trimethylammonium hydroxide, inner salt; 1-Carboxy-N,N,N-trimethylmethanaminium hydroxide, inner salt; 2-(Trimethylammonio)ethanoic acid, hydroxide, inner salt; AI3-24187; AI3-52598; Abromine; Acidin-Pepsin; BRN 3537113; Betaine; C5H12NO2

(Carboxymethyl)trimethylammonium inner salt

(Trimethylammonio)acetate; (trimethylammoniumyl)acetate; 1-carboxy-N,N,N-trimethyl-Methanaminium; 1-carboxy-N,N,N-trimethyl-Methanaminium hydroxide; 1-Carboxy-N,N,N-trimethylmethanaminium inner salt; 2-(Trimethylammonio)ethanoic acid, hydroxide, inner sal

(trimethylammoniumyl)acetate; 1-carboxy-N,N,N-trimethylmethanaminium inner salt; 2-N,N,N-trimethylammonio acetate; Bet; N,N,N-trimethylammonioacetate; abromine; acidol; trimethylglycine; trimethylglycocoll

107-43-7; Betaine; C00719; Glycine betaine; N,N,N-Trimethylglycine; Trimethylaminoacetate; Trimethylammonioacetate

107-43-7; Betaine; Cystadane (TN); D07523

107-43-7; N,N,N-trimethylglycine; acidin-pepsin; betaine; glycine betaine; lycine; oxyneurine; trimethylammonioacetate

2-(Trimethylammonio)acetate hydrate

Betain Hydrochloride

Betainchloralum; Betaine, compd. with chloral hydrate (1:1); C5H11NO2.C2H3Cl3O2; Chloral betaine; Chloral betaine [USAN:BAN]; Chloral hydrate betaine (1:1) compound; Chloral hydrate-betaine adduct; Cloral betaina [INN-Spanish]; Cloral betaine; Cloralum be

Betaine Anhydrous

Betaine HCl (FDA

Betaine hydrochloride

Betaine Hydrochloride (FDA

Betaine hydrochloride, 99%

Betaine hydrochloride, 99%, extra pure

Betaine monohydrate

Betaine monohydrate, 99+%, for analysis

Betaine, 98%, for analysis, anhydrous

Betaine, 99%+

Betaine, anhydrous

Betaine, anhydrous, 98%

CHEBI:3073; CHEBI:13895; CHEBI:24370; CHEBI:27128; CHEBI:22858; CHEBI:15264; CHEBI:29050

Chloral betaine

CYSTADANE

glycine betaine

LS-190668

Methanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt

MFCD00011903

MFCD00012123

MFCD00150010

Oxyneurine

Trimethylammonioacetate

USP)

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.33 5.26 -31.5 0 3 0 40 117.148 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 241 Acros Organics
Mp [°C] 301 Acros Organics
Purity 95% Fluorochem
Purity 97% Fluorochem
Melting_Point >300? dec. Alfa-Aesar
Melting_Point >300° dec. Alfa-Aesar
UniProt Database Links ABC3C_HUMAN; ACH23_CAEEL; AL7A1_BOVIN; AL7A1_HUMAN; AL7A1_MOUSE; AL7A1_RAT; ALLB3_BETPN; CENPB_CRIGR; CENPB_HUMAN; CENPB_MOUSE; CHDH_HUMAN; CHDH_MOUSE; CHDH_RAT; CHMO_AMATR; CHMO_ARATH; CHMO_ATRHO; CHMO_BETVU; CHMO_SPIOL; CHOX_ALCSP; CHOX_ARTGO; CYPH_BETP ChEBI
Therapy antiarteriosclerotic, hypolipaemic, hepatoprotectant SMDC Iconix
Melting_Point ca 240? dec. Alfa-Aesar
Melting_Point ca 240° dec. Alfa-Aesar
Patent Database Links EP1752130; EP1875816; US2006062751; US2007213399; US2007248554; WO2007135242 ChEBI
Target Glutathione S-transferase P(P09211)&Prostaglandin E synthase(O14684)&Mitogen-activated protein kinase 1(P28482)&G-protein coupled estrogen receptor 1(Q99527)&Thyrotropin subunit beta(P01222)&Progesterone receptor(P06401) Herbal Ingredients Targets
Reactome Database Links REACT_115861; REACT_13561 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_PATENT_ID US5304470; WO2000061551A2; WO2000066618A1 IBM Patent Data

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Amino acid transport across the plasma membrane
Na+/Cl- dependent neurotransmitter transporters
Reuptake of GABA
Sulfur amino acid metabolism

Analogs ( Draw Identity 99% 90% 80% 70% )