BioLiP

PDB

BioLiP

PDB CCD ID:

LTH

Number of entries in BioLiP:

Chemical formula:

C4 H8 O5

InChI:

InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m0/s1

InChIKey:

JPIJQSOTBSSVTP-STHAYSLISA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC[CH](O)[CH](O)C(O)=O
ACDLabs 12.01	O=C(O)C(O)C(O)CO
CACTVS 3.385	OC[C@H](O)[C@@H](O)C(O)=O
OpenEye OEToolkits 1.9.2	C(C(C(C(=O)O)O)O)O
OpenEye OEToolkits 1.9.2	C([C@@H]([C@H](C(=O)O)O)O)O

Name:

(2R,3S)-2,3,4-trihydroxybutanoic acid;
L-Threonic acid

ChEMBL:

CHEMBL2152047

DrugBank:

DB11192

ZINC:

ZINC000000901061

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).