BioLiP

PDB

BioLiP

PDB CCD ID:

PEZ

Number of entries in BioLiP:

Chemical formula:

C4 H9 O6 P

InChI:

InChI=1S/C4H9O6P/c1-2-3(4(5)6)10-11(7,8)9/h3H,2H2,1H3,(H,5,6)(H2,7,8,9)/t3-/m1/s1

InChIKey:

OETAGSCBSKODFW-GSVOUGTGSA-N

SMILES:

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

Name:

2-(PHOSPHONOOXY)BUTANOIC ACID

DrugBank:

DB03248

ZINC:

ZINC000012503329

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).