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
Download Molfile XML SDF
Formula C15H22N6O5S
Net Charge 0
Average Mass 398.43700
Monoisotopic Mass 398.137
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 Waiting for Citations Type Source
25628954 PubMed citation Europe PMC
Last Modified
22 February 2017