BioLiP

PDB

BioLiP

PDB CCD ID:

PVA

Number of entries in BioLiP:

Chemical formula:

C4 H12 N O3 P

InChI:

InChI=1S/C4H12NO3P/c1-3(2)4(5)9(6,7)8/h3-4H,5H2,1-2H3,(H2,6,7,8)/t4-/m1/s1

InChIKey:

DGSLPJDIFKVSIB-SCSAIBSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(C)C(N)P(=O)(O)O
OpenEye OEToolkits 1.5.0	CC(C)[C@H](N)P(=O)(O)O
ACDLabs 10.04	O=P(O)(O)C(N)C(C)C
CACTVS 3.341	CC(C)[CH](N)[P](O)(O)=O
CACTVS 3.341	CC(C)[C@H](N)[P](O)(O)=O

Name:

1-AMINO-2-METHYL-PROPYLPHOSPHONIC ACID

ZINC:

ZINC000002569589

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).