BioLiP

PDB

BioLiP

PDB CCD ID:

A1LUD

Number of entries in BioLiP:

Chemical formula:

C6 H14 N O2 S

InChI:

InChI=1S/C6H13NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/p+1/t5-/m0/s1

InChIKey:

YDBYJHTYSHBBAU-YFKPBYRVSA-O

SMILES:

Software	SMILES
CACTVS 3.385	C[S+](C)CC[CH](N)C(O)=O
OpenEye OEToolkits 2.0.7	C[S+](C)CCC(C(=O)O)N
CACTVS 3.385	C[S+](C)CC[C@H](N)C(O)=O

Name:

S-METHYL-METHIONINE;
(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-dimethyl-sulfanium

ChEMBL:

CHEMBL45024

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).