BioLiP

PDB

BioLiP

PDB CCD ID:

UZ4

Number of entries in BioLiP:

Chemical formula:

C8 H14 N2 O4

InChI:

InChI=1S/C8H14N2O4/c9-5(6(11)8(13)14)3-4-1-2-10-7(4)12/h4-6,11H,1-3,9H2,(H,10,12)(H,13,14)/t4-,5-,6+/m0/s1

InChIKey:

YERLKFCTXVNUDF-HCWXCVPCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CNC(=O)[C@@H]1C[C@@H]([C@H](C(=O)O)O)N
CACTVS 3.385	N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)C(O)=O
CACTVS 3.385	N[CH](C[CH]1CCNC1=O)[CH](O)C(O)=O
ACDLabs 12.01	NC(C(O)C(O)=O)CC1CCNC1=O
OpenEye OEToolkits 2.0.7	C1CNC(=O)C1CC(C(C(=O)O)O)N

Name:

(2R,3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanoic acid

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).