S-Adenosylmethionine

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Systematic / IUPAC Name: (3-Amino-3-carboxypropyl)-[[5-(6-aminopurin-9-yl)-3,
4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium

ID: Reference896

Other Names: (3S)-5'-[(3-Amino-3-carboxylatopropyl)methylsulphonio]-5'-deoxyadenosine;
Adomet;
S-Adenosyl methionine;
Adenosylmethionine

Formula: C15H23N6O5S+

Class: Endogenous Metabolites

Spectral Data

S-Adenosylmethionine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 239
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 3/25/2015 11:57:46 AM
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Identificators

InChI 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)/p+1
InChI Key MEFKEPWMEQBLKI-UHFFFAOYSA-O
Canonical SMILES C[S+](CCC(C(=O)O)N)CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O
CAS 29908030
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Other Names (3S)-5'-[(3-Amino-3-carboxylatopropyl)methylsulphonio]-5'-deoxyadenosine;
Adomet;
S-Adenosyl methionine;
Adenosylmethionine

In Other Databases

ChEMBL CHEMBL1088977
KEGG C00019
PubChem 34755
Wikipedia S-Adenosyl methionine
ChEBI CHEBI:67040
ChemSpider 1049