BioLiP

PDB

BioLiP

PDB CCD ID:

KVP

Number of entries in BioLiP:

Chemical formula:

C5 H15 N O4 P

InChI:

InChI=1S/C5H14NO4P/c1-6(2,3)4-5(7)11(8,9)10/h5,7H,4H2,1-3H3,(H-,8,9,10)/p+1/t5-/m1/s1

InChIKey:

YJIOAKRBBHTUPD-RXMQYKEDSA-O

SMILES:

Software	SMILES
CACTVS 3.385	C[N+](C)(C)C[C@H](O)[P](O)(O)=O
CACTVS 3.385	C[N+](C)(C)C[CH](O)[P](O)(O)=O
OpenEye OEToolkits 2.0.6	C[N+](C)(C)CC(O)P(=O)(O)O
OpenEye OEToolkits 2.0.6	C[N+](C)(C)C[C@H](O)P(=O)(O)O
ACDLabs 12.01	C(O)(P(O)(O)=O)C[N+](C)(C)C

Name:

(2R)-2-hydroxy-N,N,N-trimethyl-2-phosphonoethan-1-aminium

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).