BioLiP

PDB

BioLiP

PDB CCD ID:

XPC

Number of entries in BioLiP:

Chemical formula:

C5 H10 N2 O2

InChI:

InChI=1S/C5H10N2O2/c6-4-2-7-1-3(4)5(8)9/h3-4,7H,1-2,6H2,(H,8,9)/t3-,4-/m0/s1

InChIKey:

RMNHPXDNGOBDOT-IMJSIDKUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C1C(C(CN1)N)C(=O)O
CACTVS 3.370	N[CH]1CNC[CH]1C(O)=O
OpenEye OEToolkits 1.7.0	C1[C@@H]([C@H](CN1)N)C(=O)O
CACTVS 3.370	N[C@H]1CNC[C@@H]1C(O)=O
ACDLabs 12.01	O=C(O)C1CNCC1N

Name:

(3S,4R)-4-aminopyrrolidine-3-carboxylic acid;
(3R,4S)-3-Aminopyrrolidine-4-carboxylic acid

ZINC:

ZINC000026895006

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).