METHIONINE

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Search structure


Synonyms	L-Methionine Meonine Methilanin Methionine Nestone Racemethionine
UNII	AE28F7PNPL
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	FFEARJCKVFRZRR-BYPYZUCNSA-N
Smiles	CSCC[C@H](N)C(=O)O
InChI	InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C5H11NO2S
Molecular Weight	149.21
AlogP	-2.83
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	88.62
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	9.0

Assay Description	Organism	Bioactivity	Reference
Induction of disease resistance in Oryza sativa Nipponbare (rice) assessed as increase in momilactone level in press-injured leaves at 7 mM after 48 hr by HPLC-MS-MS analysis in presence of trion	Oryza sativa	None
Induction of disease resistance in Oryza sativa Nipponbare (rice) assessed as increase in sakuranetin level in press-injured leaves at 7 mM after 48 hr by HPLC-MS-MS analysis in presence of trion	Oryza sativa	None
Induction of disease resistance in Oryza sativa Nipponbare (rice) assessed as increase in momilactone level in uninjured leaves at 7 mM pretreated with water 24 hr prior to compound treatment measured after 6 hr by HPLC-MS-MS analysis relative to control	Oryza sativa	None
Induction of disease resistance in Oryza sativa Nipponbare (rice) assessed as increase in sakuranetin level in uninjured leaves at 7 mM pretreated with water 24 hr prior to compound treatment measured after 8 to 10 hr by HPLC-MS-MS analysis relative to control	Oryza sativa	None
Induction of disease resistance in Oryza sativa Nipponbare (rice) assessed as increase in momilactone level in press-injured leaves at 7 mM pretreated with water 24 hr prior to compound treatment measured after 8 to 10 hr by HPLC-MS-MS analysis relative to control	Oryza sativa	None
Induction of disease resistance in Oryza sativa Nipponbare (rice) assessed as increase in sakuranetin level in press-injured leaves at 7 mM pretreated with water 24 hr prior to compound treatment measured after 8 to 10 hr by HPLC-MS-MS analysis relative to control	Oryza sativa	None
Induction of disease resistance in Oryza sativa Nipponbare (rice) assessed as increase in jasmonic acid level in press-injured leaves at 7 mM pretreated with water 24 hr prior to compound treatment measured after 6 hr by HPLC-MS-MS analysis relative to control	Oryza sativa	None
Induction of disease resistance in Oryza sativa Nipponbare (rice) assessed as increase in jasmonic acid level in press-injured leaves at 7 mM after 1 to 2 hr by HPLC-MS-MS analysis relative to control	Oryza sativa	None
Antifungal activity against Magnaporthe grisea assessed as inhibition of spore germination	Magnaporthe grisea	None
Induction of disease resistance in Oryza sativa Nipponbare (rice) assessed as increase in naringenin 7-O-methyltransferase activity in press-injured leaves at 7 mM by spectrophotometric analysis relative to control	Oryza sativa	None
Induction of disease resistance in Oryza sativa Nipponbare (rice) assessed as increase in phenylalanine ammonia lyase activity in press-injured leaves at 7 mM by spectrophotometric analysis relative to control	Oryza sativa	10.0
Induction of disease resistance in Oryza sativa Nipponbare (rice) assessed as increase in momilactone level in press-injured leaves at 7 mM after 48 hr by HPLC-MS-MS analysis relative to control	Oryza sativa	45.0
Induction of disease resistance in Oryza sativa Nipponbare (rice) assessed as increase in sakuranetin level in press-injured leaves at 7 mM after 48 hr by HPLC-MS-MS analysis relative to control	Oryza sativa	55.0
Induction of disease resistance in Oryza sativa Nipponbare (rice) assessed as increase in momilactone level in press-injured leaves at 7 mM by HPLC-MS-MS analysis	Oryza sativa	None
Induction of disease resistance in Oryza sativa Nipponbare (rice) assessed as increase in sakuranetin level in press-injured leaves at 7 mM by HPLC-MS-MS analysis	Oryza sativa	None

Cross References

Resources	Reference
ChEMBL	CHEMBL42336
FDA SRS	AE28F7PNPL
PDB	MET
PubChem	6992087
SureChEMBL	SCHEMBL4226

CONTENTS

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).