CHEBI:62227 - L-adenosylselenomethionine zwitterion

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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
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
Submitter Remark
2011-05-27 10:36:06.0 Anne Morgat add relation is_conjugate_base to CHEBI:9066 (I requested an update in SF) Do we have to consider this ompound as a zwitterion ? if yes, please, add the relationship