S-腺苷甲硫氨酸

Description

S-Adenosylmethionine · CAS 29908-03-0 · C15H22N6O5S. UNII 7LP2MPO46S. Boiling Point: 78.

Identification

CAS Registry Number	29908-03-0
PubChem CID	34755
Molecular formula	C15H22N6O5S
IUPAC name	(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate
UNII (FDA)	7LP2MPO46S

Computed Descriptors

Molecular Weight	398.4
XLogP3	-2.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	398.13723900
Monoisotopic Mass	398.13723900
Topological Polar Surface Area	186
Heavy Atom Count	27
Formal Charge	0

Physical & Chemical Properties

Boiling Point	78

Physical description & handling notes

• 184.5 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
• 184 Ų [M]+ [CCS Type: TW; Method: calibrated with polyalanine]
• 185.7 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
• 186.46 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
• S-adenosylmethionine is an intermediate metabolite of methionine. Its involvement in methylation assists in cellular growth and repair, maintains the phospho-bilipid layer in cell membranes. It also helps in the maintenance of the action of several hormones and neurotransmitters that affect mood. Highest concentration are found in the brain and the liver.

Regulatory Status

GHS notification summary	80% (4 / 5)

GHS Hazard Classification

GHS notification summary	80% (4 / 5)
Reported hazard statements	H302 (20%), H312 (20%), H319 (20%), H332 (20%)

Documented Uses

• Use (kg; approx.) in Germany (2009): >100
• Consumption (g per capita; approx.) in Germany (2009): 0.00122
• S-Adenosylmethionine (SAMe) is used as a drug in Europe for the treatment of depression, liver disorders, fibromyalgia, and osteoarthritis. It has also been introduced into the United States market as a dietary supplement for the support of bone and joint health, as well as mood and emotional well being.
• Breast Feeding; Lactation; Milk, Human; Complementary Therapies
• A - Alimentary tract and metabolism
• A16 - Other alimentary tract and metabolism products

Synonyms

S-adenosylmethionine; Active methionine; S-adenosyl methionine; DTXSID6032019; Adenosine, 5'-((3-amino-3-carboxypropyl)methylsulfonio)-5'-deoxy-, inner salt, (3S)-; S-adenosyl-methionine; S Adenosylmethionine; RefChem:53996; S Adenosyl L Methionine; DTXCID4012019; FO1561; S Adenosylmethionine Sulfate Tosylate; FO 1561; 5'-((3-Amino-3-carboxypropyl)methylsulfonio)-5'-deoxyadenosine Hydroxide, Inner Salt; S-adenosyl-L-methionine; 29908-03-0

Frequently Asked Questions

What are the CAS number and molecular formula of S-Adenosylmethionine?

CAS 29908-03-0; molecular formula C15H22N6O5S; molecular weight — g/mol.

What other names is S-Adenosylmethionine known by?

S-adenosylmethionine, Active methionine, S-adenosyl methionine, DTXSID6032019, Adenosine, 5'-((3-amino-3-carboxypropyl)methylsulfonio)-5'-deoxy-, inner salt, (3S)-, S-adenosyl-methionine.

Is S-Adenosylmethionine classified as hazardous?

80% of GHS notifications report no hazard classification (4 of 5).

What are the key physical properties of S-Adenosylmethionine?

Boiling Point: 78.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.