BioLiP

PDB

BioLiP

PDB CCD ID:

YTH

Number of entries in BioLiP:

Chemical formula:

C4 H10 N O6 P

InChI:

InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3-/m0/s1

InChIKey:

USRGIUJOYOXOQJ-HRFVKAFMSA-N

SMILES:

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

Name:

O-phosphono-L-allothreonine

ChEMBL:

CHEMBL1742182

ZINC:

ZINC000001574931

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).