BioLiP

PDB

BioLiP

PDB CCD ID:

ALT

Number of entries in BioLiP:

Chemical formula:

C3 H7 N O S

InChI:

InChI=1S/C3H7NOS/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1

InChIKey:

YXXURDJTDAAEPH-REOHCLBHSA-N

SMILES:

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

Name:

THIOALANINE

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).