BioLiP

PDB

BioLiP

PDB CCD ID:

PLE

Number of entries in BioLiP:

Chemical formula:

C5 H14 N O3 P

InChI:

InChI=1S/C5H14NO3P/c1-4(2)3-5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t5-/m1/s1

InChIKey:

HGCAUCAWEADMPM-RXMQYKEDSA-N

SMILES:

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

Name:

[(1R)-1-amino-3-methylbutyl]phosphonic 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).