Molecule

S-methylcysteine

AlkaPlorer ID: AK007338

Synonym: 'S-methyl-L-cysteine', 'S-Methyl cysteine', '3-(Methylthio)-L-alanine', '(2R)-2-amino-3-(methylsulfanyl)propanoic acid', '(R)-2-amino-3-(methylthio)propanoic acid', 'L-S-methylcysteine', 'L-Methylcysteine', 'S-Methyl-L-cysteine', 'S-METHYLCYSTEINE'

IUPAC Name: (2R)-2-amino-3-methylsulfanylpropanoic acid

Structure

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

InChI: InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

InChIKey: IDIDJDIHTAOVLG-VKHMYHEASA-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: 7058174

CAS: 1187-84-4

LOTUS: LTS0201907

SuperNatural Ⅲ: SN0142552-02

NPASS: NPC204364

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Allium sativum	Allium	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Allium cepa	Allium	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 135.18800000000002

TPSA？: 63.32000000000001

MolLogP？: -0.2387000000000002

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	HeLa	IC50	50000.0	nM	10.1016/j.bmcl.2007.04.101
Homo sapiens	Histone deacetylase 6	Inhibition	-4.29	%	10.6019/CHEMBL4808148
Homo sapiens	Histone deacetylase 6	Inhibition	15.31	%	10.6019/CHEMBL4808148
Homo sapiens	Kinesin-like protein 1	IC50	63000.0	nM	10.1016/j.bmcl.2007.04.101
Rattus norvegicus	Amino acid transporter	Inhibition	25.0	%	None
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	13.48	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	0.04	%	10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	37.27	%	10.21203/rs.3.rs-23951/v1

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT002039	CC(=O)C(=O)O.CS>>CSC[C@H](N)C(=O)O	MNXR133250
AKRT012042	CS.CC(=O)OC[C@H](N)C(=O)O>>CSC[C@H](N)C(=O)O	enzymemap_40569
AKRT012044	CS.N[C@@H](CCl)C(=O)O>>CSC[C@H](N)C(=O)O	enzymemap_86424
AKRT012051	CSCC(=O)C(=O)O.NCC(=O)O>>CSC[C@H](N)C(=O)O	enzymemap_42668
AKRT012052	CSCC(=O)C(=O)O>>CSC[C@H](N)C(=O)O	enzymemap_42230
AKRT012592	CSC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O>>CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O	enzymemap_90507
AKRT012593	CSC[C@H](N)C(=O)O.O=CC(=O)O>>CSCC(=O)C(=O)O	enzymemap_41632
AKRT012594	CSC[C@H](N)C(=O)O>>CS(=O)C[C@H](N)C(=O)O	RXN-8908
AKRT012595	CSC[C@H](N)C(=O)O>>CSCC(=O)C(=O)O	enzymemap_21836
AKRT012596	CSC[C@H](N)C(=O)O>>CSCCN	enzymemap_81832
AKRT012597	CSC[C@H](N)C(=O)O>>CSCCN.O=C=O	None
AKRT012598	CSC[C@H](N)C(=O)O>>CSC[C@@H](N)C(=O)O	enzymemap_86843
AKRT012599	CSC[C@H](N)C(=O)O>>NCC(=O)O	enzymemap_41632
AKRT012600	CSC[C@H](N)C(=O)O>>O=C=O	enzymemap_81832
AKRT012607	CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O>>CSC[C@H](N)C(=O)O	RXN-16201
AKRT012610	CSC[C@H](NC(C)=O)C(=O)O>>CSC[C@H](N)C(=O)O	enzymemap_76578
AKRT012653	C[33S].N[C@@H](CS)C(=O)O>>CSC[C@H](N)C(=O)O	None
AKRT014673	C[SAH].N[C@@H](CS)C(=O)O>>CSC[C@H](N)C(=O)O	enzymemap_25661