SAM
S-ADENOSYLMETHIONINE
Created: | 1999-07-08 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 49 |
Chiral Atom Count | 6 |
Bond Count | 51 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
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Name | S-ADENOSYLMETHIONINE |
Systematic Name (OpenEye OEToolkits) | (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl-methyl-sulfonio]butanoate |
Formula | C15 H22 N6 O5 S |
Molecular Weight | 398.437 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O |
SMILES | CACTVS | 3.341 | C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 |
SMILES | OpenEye OEToolkits | 1.5.0 | C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O |
Canonical SMILES | CACTVS | 3.341 | C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23 |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O |
InChI | InChI | 1.03 | InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1 |
InChIKey | InChI | 1.03 | MEFKEPWMEQBLKI-FCKMPRQPSA-N |
Drug Info: DrugBank
DrugBank ID | DB00118 |
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Name | Ademetionine |
Groups |
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Description | Physiologic methyl radical donor involved in enzymatic transmethylation reactions and present in all living organisms. It possesses anti-inflammatory activity and has been used in treatment of chronic liver disease. (From Merck, 11th ed) |
Synonyms |
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Indication | 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. |
Categories |
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ATC-Code | A16AA02 |
CAS number | 29908-03-0 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
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Catechol O-methyltransferase | MPEAPPLLLAAVLLGLVLLVVLLLLLRHWGWGLCLIGWNEFILQPIHNLL... | unknown | cofactor |
Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 | MKRRTDPECTAPIKKQKKRVAELALSLSSTSDDEPPSSVSHGAKASTTSL... | unknown | |
Arsenite methyltransferase | MAALRDAEIQKDVQTYYGQVLKRSADLQTNGCVTTARPVPKHIREALQNV... | unknown | |
Glycine N-methyltransferase | MVDSVYRTRSLGVAAEGLPDQYADGEAARVWQLYIGDTRSRTAEYKAWLL... | unknown | cofactor |
S-adenosylmethionine decarboxylase proenzyme | MEAAHFFEGTEKLLEVWFSRQQPDANQGSGDLRTIPRSEWDILLKDVQCS... | unknown | cofactor |
View More |
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