BioLiP

PDB

BioLiP

PDB CCD ID:

OMT

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O4 S

InChI:

InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

InChIKey:

UCUNFLYVYCGDHP-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.341	C[S](=O)(=O)CC[CH](N)C(O)=O
ACDLabs 10.04	O=S(=O)(C)CCC(C(=O)O)N
OpenEye OEToolkits 1.5.0	CS(=O)(=O)CCC(C(=O)O)N
OpenEye OEToolkits 1.5.0	CS(=O)(=O)CC[C@@H](C(=O)O)N
CACTVS 3.341	C[S](=O)(=O)CC[C@H](N)C(O)=O

Name:

S-DIOXYMETHIONINE

ChEMBL:

CHEMBL442720

DrugBank:

DB03790

ZINC:

ZINC000001691392

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).