BioLiP

PDB

BioLiP

PDB CCD ID:

02F

Number of entries in BioLiP:

Chemical formula:

C5 H14 N O4 P

InChI:

InChI=1S/C5H14NO4P/c1-10-4-2-3-5(6)11(7,8)9/h5H,2-4,6H2,1H3,(H2,7,8,9)/t5-/m0/s1

InChIKey:

PXJTVTLKYWDWLN-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	COCCC[C@@H](N)P(=O)(O)O
CACTVS 3.370	COCCC[CH](N)[P](O)(O)=O
ACDLabs 12.01	O=P(O)(O)C(N)CCCOC
OpenEye OEToolkits 1.7.0	COCCCC(N)P(=O)(O)O
CACTVS 3.370	COCCC[C@@H](N)[P](O)(O)=O

Name:

[(1S)-1-amino-4-methoxybutyl]phosphonic acid

ZINC:

ZINC000098207743

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).