BioLiP

PDB

BioLiP

PDB CCD ID:

IPI

Number of entries in BioLiP:

Chemical formula:

C5 H13 O3 P

InChI:

InChI=1S/C5H13O3P/c1-5(2)3-4-9(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)

InChIKey:

OHMSWSFFCKZMGL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	CC(C)CC[P](O)(O)=O
OpenEye OEToolkits 1.6.1	CC(C)CCP(=O)(O)O

Name:

3-methylbutylphosphonic acid;
isoamylphosphonic acid

ChEMBL:

CHEMBL41600

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).