CHEBI:67040 - S-adenosyl-L-methioninate

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ChEBI Name S-adenosyl-L-methioninate ChEBI ID CHEBI:67040 ChEBI ASCII Name S-adenosyl-L-methioninate Definition A sulfonium betaine that is a conjugate base of S-adenosyl-L-methionine obtained by the deprotonation of the carboxy group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C15H22N6O5S Net Charge 0 Average Mass 398.43700 Monoisotopic Mass 398.13724 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)/t7-,8+,10+,11+,14+,27?/m0/s1 InChIKey MEFKEPWMEQBLKI-AIRLBKTGSA-N SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing S-adenosyl-L-methioninate (CHEBI:67040) has functional parent L-methioninate (CHEBI:32631) S-adenosyl-L-methioninate (CHEBI:67040) has role human metabolite (CHEBI:77746) S-adenosyl-L-methioninate (CHEBI:67040) is a sulfonium betaine (CHEBI:35282) S-adenosyl-L-methioninate (CHEBI:67040) is conjugate base of S-adenosyl-L-methionine (CHEBI:15414) Incoming S-adenosyl-L-methionine (CHEBI:15414) is conjugate acid of S-adenosyl-L-methioninate (CHEBI:67040) IUPAC Name [(3S)-3-amino-3-carboxylatopropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonioacetate Synonyms Sources AdoMet KEGG COMPOUND S-Adenosylmethionine KEGG COMPOUND SAM KEGG COMPOUND Manual Xrefs Databases 2414 DrugCentral C00007347 KNApSAcK C00019 KEGG COMPOUND SAM PDBeChem View more database links Registry Number Type Source 29908-03-0 CAS Registry Number KEGG COMPOUND Citation Last Modified 22 February 2017