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CHEBI:59789 - S-adenosyl-L-methionine zwitterion

ChEBI IDCHEBI:59789
ChEBI NameS-adenosyl-L-methionine zwitterion
Stars
ASCII NameS-adenosyl-L-methionine zwitterion
DefinitionA zwitterionic tautomer of S-adenosyl-L-methionine arising from shift of the proton from the carboxy group to the amino group.
Last Modified26 July 2019
SubmitterAnne Morgat
DownloadsMolfile

FormulaC15H23N6O5S
Net Charge+1
Average Mass399.453
Monoisotopic Mass399.14452
SMILESC[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=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/t7-,8+,10+,11+,14+,27?/m0/s1
InChIKeyMEFKEPWMEQBLKI-AIRLBKTGSA-O

Roles Classification

ChEBI Ontology
IUPAC Name 
[(3S)-3-azaniumyl-3-carboxylatopropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonium
Synonym  Source
S-adenosyl-L-methionineSUBMITTER
UniProt Name  Source
S-adenosyl-L-methionineUniProt