BioLiP

PDB

BioLiP

PDB CCD ID:

X9W

Number of entries in BioLiP:

Chemical formula:

C4 H9 O4 P

InChI:

InChI=1S/C4H9O4P/c1-9(2,8)4(7)3(5)6/h4,7H,1-2H3,(H,5,6)/t4-/m1/s1

InChIKey:

UTDPHALOLFEIHB-SCSAIBSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CP(=O)(C)C(C(=O)O)O
CACTVS 3.385	C[P](C)(=O)[C@@H](O)C(O)=O
OpenEye OEToolkits 2.0.7	CP(=O)(C)[C@H](C(=O)O)O
ACDLabs 12.01	O=C(O)C(O)P(C)(C)=O
CACTVS 3.385	C[P](C)(=O)[CH](O)C(O)=O

Name:

(2R)-(dimethylphosphoryl)(hydroxy)acetic acid

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).