ADEMETIONINE


Synonyms	Ademetionine Ademetionine disulfate tosilate Ademetionine disulfate tosylate Ademetionine disulphate tosylate Ademetionine sulfate tosilate Ademetionine tosilate sulfate Ademetionine tosilate sulphate Adenosylmethionine Adomet Gumbaral MSI-195 Moodplus S-adenosylmethionine S-amet SAM-E
Status
Molecule Category	Free-form
ATC	A16AA02
UNII	7LP2MPO46S
EPA CompTox	DTXSID6032019


InChI Key	MEFKEPWMEQBLKI-AIRLBKTGSA-N
Smiles	C[S+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
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

Property Name	Value
Molecular Formula	C15H22N6O5S
Molecular Weight	398.45
AlogP	-3.26
Hydrogen Bond Acceptor	11.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	7.0
Polar Surface Area	185.46
Molecular species	ZWITTERION
Aromatic Rings	2.0
Heavy Atoms	27.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Unclassified protein	17.3	-	4	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Escherichia coli	17.3	-	4	-	-

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
CAS NUMBER	29908-03-0
ChEBI	67040
ChEMBL	CHEMBL1088977
DrugBank	DB00118
DrugCentral	2414
FDA SRS	7LP2MPO46S
KEGG	C00019
PubChem	34756
SureChEMBL	SCHEMBL1300198

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 23^rd March 2026

ADEMETIONINE

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References