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

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ChEBI Name S-adenosyl-L-methionine zwitterion
ChEBI ID CHEBI:59789
ChEBI ASCII Name S-adenosyl-L-methionine zwitterion
Definition A zwitterionic tautomer of S-adenosyl-L-methionine arising from shift of the proton from the carboxy group to the amino group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C15H23N6O5S
Net Charge +1
Average Mass 399.44500
Monoisotopic Mass 399.145
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/t7-,8+,10+,11+,14+,27?/m0/s1
InChIKey MEFKEPWMEQBLKI-AIRLBKTGSA-O
SMILES C[S+](CC[C@H]([NH3+])C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing S-adenosyl-L-methionine zwitterion (CHEBI:59789) is a organic cation (CHEBI:25697)
S-adenosyl-L-methionine zwitterion (CHEBI:59789) is a sulfonium compound (CHEBI:26830)
S-adenosyl-L-methionine zwitterion (CHEBI:59789) is tautomer of S-adenosyl-L-methionine (CHEBI:15414)
Incoming S-adenosyl-L-methionine (CHEBI:15414) is tautomer of S-adenosyl-L-methionine zwitterion (CHEBI:59789)
IUPAC Name
[(3S)-3-azaniumyl-3-carboxylatopropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonium
Synonyms Sources
S-adenosyl-L-methionine SUBMITTER
S-adenosyl-L-methionine UniProt
Last Modified
05 August 2010