BioLiP

PDB

BioLiP

PDB CCD ID:

TH5

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O4

InChI:

InChI=1S/C6H11NO4/c1-3(11-4(2)8)5(7)6(9)10/h3,5H,7H2,1-2H3,(H,9,10)/t3-,5+/m1/s1

InChIKey:

GOVSRIMJZNIFHS-WUJLRWPWSA-N

SMILES:

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

Name:

O-acetyl-L-threonine

ZINC:

ZINC000002556509

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).