BioLiP

PDB

BioLiP

PDB CCD ID:

ZNY

Number of entries in BioLiP:

Chemical formula:

C7 H13 N O3

InChI:

InChI=1S/C7H13NO3/c1-2-11-5-3-6(7(9)10)8-4-5/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1

InChIKey:

UGNGLHKEESUVLW-RITPCOANSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCO[C@H]1CN[C@@H](C1)C(O)=O
CACTVS 3.385	CCO[CH]1CN[CH](C1)C(O)=O
OpenEye OEToolkits 2.0.7	CCO[C@@H]1C[C@H](NC1)C(=O)O
ACDLabs 12.01 OpenEye OEToolkits 2.0.7	CCOC1CC(NC1)C(=O)O

Name:

(4R)-4-ethoxy-L-proline

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).