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CHEBI:67040 - S-adenosyl-L-methioninate

ChEBI IDCHEBI:67040
ChEBI NameS-adenosyl-L-methioninate
Stars
ASCII NameS-adenosyl-L-methioninate
DefinitionA sulfonium betaine that is a conjugate base of S-adenosyl-L-methionine obtained by the deprotonation of the carboxy group.
Last Modified22 February 2017
Submitternamrata
DownloadsMolfile
FormulaC15H22N6O5S
Net Charge0
Average Mass398.445
Monoisotopic Mass398.13724
SMILESC[S+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=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
InChIKeyMEFKEPWMEQBLKI-AIRLBKTGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (25628954)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
SAMKEGG COMPOUND
AdoMetKEGG COMPOUND
S-AdenosylmethionineKEGG COMPOUND
Manual XrefsDatabases
SAMPDBeChem
C00019KEGG COMPOUND
C00007347KNApSAcK
2414DrugCentral
Registry NumbersSources
CAS:29908-03-0KEGG COMPOUND
Citations