Molecule

Selenomethionine

AlkaPlorer ID: AK011917

Synonym: None

IUPAC Name: (2S)-2-amino-4-methylselanylbutanoic acid

Structure

SMILES: C[Se]CC[C@H](N)C(=O)O

InChI: InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

InChIKey: RJFAYQIBOAGBLC-BYPYZUCNSA-N

Reference

Allium Chemistry: Identification of Selenoamino Acids in Ordinary and Selenium-Enriched Garlic, Onion, and Broccoli Using Gas Chromatography with Atomic Emission Detection

PubChem CID: 176050158

CAS: 1464-42-2

LOTUS: LTS0227125

SuperNatural Ⅲ: SN0326876-01

NPASS: NPC291186

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ovibos moschatus	Ovibos	Bovidae	Artiodactyla	Mammalia	Chordata	Metazoa	Eukaryota
Rhodospirillum rubrum	Rhodospirillum	Rhodospirillaceae	Rhodospirillales	Alphaproteobacteria	Pseudomonadota	None	Bacteria
Allium sativum	Allium	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Berberis integerrima	Berberis	Berberidaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sarcocephalus latifolius	Sarcocephalus	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Herbertus sakuraii	Herbertus	Herbertaceae	Jungermanniales	Jungermanniopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 196.108

TPSA？: 63.32000000000001

MolLogP？: -0.0409999999999999

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	4'-phosphopantetheinyl transferase ffp	Potency	11220.2	nM	None
Cricetulus griseus	V79	IC50	267000.0	nM	10.1021/jm020496q
Homo sapiens	A549	IC50	65000.0	nM	10.1016/j.ejmech.2021.113621
Homo sapiens	Acetylcholinesterase	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Adenosine A3 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alpha-1a adrenergic receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alpha-2a adrenergic receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Androgen Receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Cyclooxygenase-1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine D1 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine D3 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine transporter	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	DU-145	IC50	40000.0	nM	10.1016/j.ejmech.2021.113621
Homo sapiens	Estrogen receptor alpha	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	HERG	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Histamine H3 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Histone deacetylase 6	Inhibition	-5.32	%	10.6019/CHEMBL4808148
Homo sapiens	Histone deacetylase 6	Inhibition	23.86	%	10.6019/CHEMBL4808148
Homo sapiens	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Potency	794.3	nM	None
Homo sapiens	HT-29	IC50	130000.0	nM	10.1016/j.ejmech.2021.113621
Homo sapiens	MCF7S	IC5	45.0	uM	10.1016/j.ejmech.2021.113621
Homo sapiens	Monoamine oxidase A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Mu opioid receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M2	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Norepinephrine transporter	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Phosphodiesterase 3A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Phosphodiesterase 4A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Progesterone receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 1a (5-HT1a) receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 2b (5-HT2b) receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin transporter	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Thrombin	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Thromboxane A2 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	UACC-375	IC5	50.0	uM	10.1016/j.ejmech.2021.113621
Homo sapiens	UACC-375	IC50	50000.0	nM	10.1016/j.ejmech.2021.113621
Homo sapiens	Vascular endothelial growth factor receptor 2	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Plasmodium falciparum	Plasmodium falciparum	IC50	45000.0	nM	10.1016/j.ejmech.2021.113621
Rattus norvegicus	GABA receptor alpha-1 subunit	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Trypanosoma brucei brucei (strain 927/4 GUTat10.1)	Putative uncharacterized protein	Potency	1778.3	nM	None
None	Hepatotoxicity	Hepatotoxicity	nan	None	10.1021/tx900326k
None	Unchecked	Fold induction	1.8	None	10.1021/jm020496q

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT010631	CN1c2c(nc(N)[nH]c2=O)NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1.N[C@@H](CC[SeH])C(=O)O>>C[Se]CC[C@H](N)C(=O)O	RXN-12730
AKRT014604	C[SAH].C[Se]CC[C@H](N)C(=O)O>>C[Se+](C)CC[C@H](N)C(=O)O	RXN-11062
AKRT014605	C[SAH].C[Se]C[C@H](N)C(=O)O>>C[Se]CC[C@H](N)C(=O)O	MNXR172209
AKRT014671	C[SAH].N[C@@H](CC[SeH])C(=O)O>>C[Se]CC[C@H](N)C(=O)O	enzymemap_25843
AKRT014773	C[Se+](C)CC[C@H](N)C(=O)O>>C[Se]CC[C@H](N)C(=O)O	R04772
AKRT014774	C[SeH].CC(=O)OCC[C@H](N)C(=O)O>>C[Se]CC[C@H](N)C(=O)O	enzymemap_40682
AKRT014775	C[Se]CCC(=O)C(=O)O>>C[Se]CC[C@H](N)C(=O)O	enzymemap_21874
AKRT014776	C[Se]CC[C@H](N)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2>>CN1c2c(nc(N)[nH]c2=O)NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1	MNXR104045
AKRT014777	C[Se]CC[C@H](N)C(=O)O>>CCC(=O)C(=O)O	R04770
AKRT014778	C[Se]CC[C@H](N)C(=O)O>>C[SeH]	R04770
AKRT014779	C[Se]CC[C@H](N)C(=O)O>>C[Se](=O)CC[C@H](N)C(=O)O	MNXR104044
AKRT014780	C[Se]CC[C@H](N)C(=O)O>>N[C@@H](CC[SeH])C(=O)O	MNXR104045
AKRT014781	C[Se]CC[C@H](NC(C)=O)C(=O)O>>C[Se]CC[C@H](N)C(=O)O	enzymemap_76581