BioLiP

PDB

BioLiP

PDB CCD ID:

Q07

Number of entries in BioLiP:

Chemical formula:

C6 H16 N O3 P

InChI:

InChI=1S/C6H16NO3P/c1-3-4-5(2)6(7)11(8,9)10/h5-6H,3-4,7H2,1-2H3,(H2,8,9,10)/t5-,6+/m0/s1

InChIKey:

AMCULSZUZIHVRH-NTSWFWBYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCC[C@H](C)[C@H](N)[P](O)(O)=O
CACTVS 3.385	CCC[CH](C)[CH](N)[P](O)(O)=O
ACDLabs 12.01	O=P(O)(O)C(N)C(CCC)C
OpenEye OEToolkits 1.9.2	CCCC(C)C(N)P(=O)(O)O
OpenEye OEToolkits 1.9.2	CCC[C@H](C)[C@H](N)P(=O)(O)O

Name:

[(1R,2S)-1-amino-2-methylpentyl]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).