BioLiP

PDB

BioLiP

PDB CCD ID:

Q04

Number of entries in BioLiP:

Chemical formula:

C8 H18 N O3 P

InChI:

InChI=1S/C8H18NO3P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,9H2,(H2,10,11,12)/t8-/m1/s1

InChIKey:

VWVYLBIQWASACG-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C1CCC(CC1)C[C@H](N)P(=O)(O)O
OpenEye OEToolkits 1.9.2	C1CCC(CC1)CC(N)P(=O)(O)O
CACTVS 3.385	N[CH](CC1CCCCC1)[P](O)(O)=O
ACDLabs 12.01	O=P(O)(O)C(N)CC1CCCCC1
CACTVS 3.385	N[C@@H](CC1CCCCC1)[P](O)(O)=O

Name:

[(1R)-1-amino-2-cyclohexylethyl]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).