BioLiP

PDB

BioLiP

PDB CCD ID:

TH6

Number of entries in BioLiP:

Chemical formula:

C4 H9 N O4

InChI:

InChI=1S/C4H9NO4/c5-3(4(8)9)2(7)1-6/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3+/m1/s1

InChIKey:

JBNUARFQOCGDRK-GBXIJSLDSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C(N)C(O)CO
CACTVS 3.352	N[CH]([CH](O)CO)C(O)=O
OpenEye OEToolkits 1.6.1	C([C@H]([C@@H](C(=O)O)N)O)O
CACTVS 3.352	N[C@@H]([C@H](O)CO)C(O)=O
OpenEye OEToolkits 1.6.1	C(C(C(C(=O)O)N)O)O

Name:

4-HYDROXY-L-THREONINE

ZINC:

ZINC000001530328

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).