BioLiP

PDB

BioLiP

PDB CCD ID:

JQ5

Number of entries in BioLiP:

Chemical formula:

C6 H11 O6 P

InChI:

InChI=1S/C6H11O6P/c1-2-12-13(10,11)6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)(H,10,11)

InChIKey:

YEJCRQSMXRSGOQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCO[P](O)(=O)C(=O)CCC(O)=O
OpenEye OEToolkits 2.0.7	CCOP(=O)(C(=O)CCC(=O)O)O

Name:

4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanylidene-butanoic 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).