BioLiP

PDB

BioLiP

PDB CCD ID:

SYS

Number of entries in BioLiP:

Chemical formula:

C5 H10 N2 O3 Se

InChI:

InChI=1S/C5H10N2O3Se/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1

InChIKey:

PLYPJHVEADBROH-VKHMYHEASA-N

SMILES:

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

Name:

3-[(2-amino-2-oxoethyl)selanyl]-L-alanine;
L-(Se-carboxamidomethyl)selenocysteine

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).