CHEBI:62227 - L-adenosylselenomethionine zwitterion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name L-adenosylselenomethionine zwitterion
ChEBI ID CHEBI:62227
ChEBI ASCII Name L-adenosylselenomethionine zwitterion
Definition An organic cation that is the zwitterionic tautomer of L-adenosylselenomethionine arising from shift of the proton from the carboxy group to the amino group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C15H23N6O5Se
Net Charge +1
Average Mass 446.34000
Monoisotopic Mass 447.08897
InChI InChI=1S/C15H22N6O5Se/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 GGJFWMOVUFBSIN-AIRLBKTGSA-O
SMILES C[Se+](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 L-adenosylselenomethionine zwitterion (CHEBI:62227) is a organic cation (CHEBI:25697)
L-adenosylselenomethionine zwitterion (CHEBI:62227) is tautomer of L-adenosylselenomethionine (CHEBI:9066)
Incoming L-adenosylselenomethionine (CHEBI:9066) is tautomer of L-adenosylselenomethionine zwitterion (CHEBI:62227)
IUPAC Name
[(3S)-3-azaniumyl-3-carboxylatopropyl](5'-deoxyadenosin-5'-yl)(methyl)selenonium
Synonyms Sources
L-adenosylselenomethionine UniProt
Se-adenosyl-L-selenomethionine zwitterion ChEBI
Last Modified
31 May 2011