BioLiP

PDB

BioLiP

PDB CCD ID:

ALU

Number of entries in BioLiP:

Chemical formula:

C3 H7 O4 P

InChI:

InChI=1S/C3H7O4P/c1-3(4)8(5,6)7-2/h1-2H3,(H,5,6)

InChIKey:

QECABVMKPMRCRZ-UHFFFAOYSA-N

SMILES:

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

Name:

METHYL HYDROGEN (S)-ACETYLPHOSPHONATE

ChEMBL:

CHEMBL1230956

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).