BioLiP

PDB

BioLiP

PDB CCD ID:

OHS

Number of entries in BioLiP:

Chemical formula:

C5 H7 N O6 S

InChI:

InChI=1S/C5H7NO6S/c6-2(4(8)9)1-3(7)12-13-5(10)11/h2H,1,6H2,(H,8,9)(H,10,11)/t2-/m1/s1

InChIKey:

XLRNXEYAFDOPMG-UWTATZPHSA-N

SMILES:

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

Name:

O-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINE

ZINC:

ZINC000038377623

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).