BioLiP

PDB

BioLiP

PDB CCD ID:

HBU

Number of entries in BioLiP:

Chemical formula:

C5 H9 O5 P

InChI:

InChI=1S/C5H9O5P/c1-11(9,10)3-4(6)2-5(7)8/h2-3H2,1H3,(H,7,8)(H,9,10)

InChIKey:

MZTALSPOBPYJPG-UHFFFAOYSA-N

SMILES:

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

Name:

4-[HYDROXY-[METHYL-PHOSPHINOYL]]-3-OXO-BUTANOIC ACID

DrugBank:

DB01832

ZINC:

ZINC000003581252

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).