BioLiP

PDB

BioLiP

PDB CCD ID:

OCQ

Number of entries in BioLiP:

Chemical formula:

C8 H14 N2 O3

InChI:

InChI=1S/C8H14N2O3/c9-6(7(12)4-11)3-5-1-2-10-8(5)13/h5-6,11H,1-4,9H2,(H,10,13)/t5-,6-/m0/s1

InChIKey:

IZFXLIWWJCODDL-WDSKDSINSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.5	C1CNC(=O)C1CC(C(=O)CO)N
CACTVS 3.385	N[CH](C[CH]1CCNC1=O)C(=O)CO
ACDLabs 10.04	O=C1NCCC1CC(N)C(=O)CO
OpenEye OEToolkits 1.7.5	C1CNC(=O)[C@@H]1C[C@@H](C(=O)CO)N
CACTVS 3.385	N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO

Name:

(3S)-3-[(2S)-2-AMINO-4-HYDROXY-3-OXOBUTYL]PYRROLIDIN-2-ONE

ZINC:

ZINC000064624497

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).