BioLiP

PDB

BioLiP

PDB CCD ID:

2MM

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O2 S

InChI:

InChI=1S/C7H15NO2S/c1-8(2)6(7(9)10)4-5-11-3/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1

InChIKey:

FLEXUHXAXRFRAU-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.341	CSCC[C@H](N(C)C)C(O)=O
CACTVS 3.341	CSCC[CH](N(C)C)C(O)=O
OpenEye OEToolkits 1.5.0	CN(C)[C@@H](CCSC)C(=O)O
ACDLabs 10.04	O=C(O)C(N(C)C)CCSC
OpenEye OEToolkits 1.5.0	CN(C)C(CCSC)C(=O)O

Name:

N,N-dimethyl-L-methionine

ChEMBL:

CHEMBL1229963

ZINC:

ZINC000001677421

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).