BioLiP

PDB

BioLiP

PDB CCD ID:

A1L8I

Number of entries in BioLiP:

Chemical formula:

C7 H14 N2 O2

InChI:

InChI=1S/C7H14N2O2/c8-6(4-10)3-5-1-2-9-7(5)11/h5-6,10H,1-4,8H2,(H,9,11)/t5-,6-/m0/s1

InChIKey:

AVANYHSFGMYIBM-WDSKDSINSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CNC(=O)C1CC(CO)N
CACTVS 3.385	N[CH](CO)C[CH]1CCNC1=O
OpenEye OEToolkits 2.0.7	C1CNC(=O)[C@@H]1C[C@@H](CO)N
CACTVS 3.385	N[C@H](CO)C[C@@H]1CCNC1=O

Name:

(3~{S})-3-[(2~{S})-2-azanyl-3-oxidanyl-propyl]pyrrolidin-2-one

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).