BioLiP

PDB

BioLiP

PDB CCD ID:

NRI

Number of entries in BioLiP:

Chemical formula:

C5 H12 N O5 P

InChI:

InChI=1S/C5H12NO5P/c7-5-2-6-1-4(5)3-11-12(8,9)10/h4-7H,1-3H2,(H2,8,9,10)/t4-,5+/m1/s1

InChIKey:

DZBMWXHITVAZTC-UHNVWZDZSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O[C@H]1CNC[C@@H]1CO[P](O)(O)=O
CACTVS 3.341	O[CH]1CNC[CH]1CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0	C1[C@@H]([C@H](CN1)O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0	C1C(C(CN1)O)COP(=O)(O)O
ACDLabs 10.04	O=P(OCC1CNCC1O)(O)O

Name:

PHOSPHORIC ACID MONO-(4-HYDROXY-PYRROLIDIN-3-YLMETHYL) ESTER

ZINC:

ZINC000005975943

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).