BioLiP

PDB

BioLiP

PDB CCD ID:

OLT

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O3

InChI:

InChI=1S/C5H11NO3/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4+/m1/s1

InChIKey:

FYCWLJLGIAUCCL-DMTCNVIQSA-N

SMILES:

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

Name:

O-METHYL-L-THREONINE

ChEMBL:

CHEMBL1234983

ZINC:

ZINC000001700276

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).