Choline

CAT: 0013-GTR19280029-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19280029-01Size:5 mg

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Description

Choline is the parent compound of choline compounds, with a structure in which the amino group of ethanolamine is substituted by three methyl groups. Choline acts as a neurotransmitter, nutrient, and allergen, and is an endogenous metabolite in mice, Saccharomyces cerevisiae, plants, Escherichia coli, humans, and Daphnia magna. Choline is involved in the regulation of gallbladder function, hepatic physiology, and the synthesis of the key lipid lecithin; it promotes fat and cholesterol metabolism, reduces excessive fat accumulation in the liver, and can also be used to alleviate symptoms associated with Parkinsonism and tardive dyskinesia. Choline deficiency may cause abnormal hepatic fat deposition, hypertension, gastric ulcers, liver and kidney damage, growth retardation, and other disorders.

CAS Number

62-49-7

Purity

99.90% (May vary between batches)

Smiles

OCC[N+] (C) (C) C

Molecular Formula

C5H14NO

Molecular Weight

104.17

Notes

For research use only.

Chemical Information

Choline

Choline is a choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function. It has a role as a neurotransmitter, a nutrient, an allergen, a mouse metabolite, a Saccharomyces cerevisiae metabolite, a plant metabolite, an Escherichia coli metabolite, a human metabolite and a Daphnia magna metabolite.

CAS Number	62-49-7
PubChem CID	305
IUPAC Name	2-hydroxyethyl(trimethyl)azanium
Molecular Formula	C5H14NO+
Molecular Weight	104.17
XLogP	-0.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	1
Complexity	46

SMILES

C[N+](C)(C)CCO

InChI

InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1

InChIKey

OEYIOHPDSNJKLS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62-49-7

CID: 305

Formula: C5H14NO+

MW: 104.17

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	104.17
XLogP3	-0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	104.107539070
Monoisotopic Mass	104.107539070
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	7
Formal Charge	1
Complexity	46.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Choline

Chemical Information

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