BioLiP

PDB

BioLiP

PDB CCD ID:

MSO

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O3 Se

InChI:

InChI=1S/C5H11NO3Se/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1

InChIKey:

KGXZPWNBFWCDRF-ZXPFJRLXSA-N

SMILES:

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

Name:

SELENOMETHIONINE SELENOXIDE

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).