BioLiP

PDB

BioLiP

PDB CCD ID:

Q06

Number of entries in BioLiP:

Chemical formula:

C8 H18 N O3 P

InChI:

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

InChIKey:

ZLDKOVICXZHRSD-MRVPVSSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](CCC1CCCC1)[P](O)(O)=O
CACTVS 3.385	N[C@@H](CCC1CCCC1)[P](O)(O)=O
OpenEye OEToolkits 1.9.2	C1CCC(C1)CCC(N)P(=O)(O)O
ACDLabs 12.01	O=P(O)(O)C(N)CCC1CCCC1
OpenEye OEToolkits 1.9.2	C1CCC(C1)CC[C@H](N)P(=O)(O)O

Name:

[(1R)-1-amino-3-cyclopentylpropyl]phosphonic acid

ZINC:

ZINC000035882179

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).