BioLiP

PDB

BioLiP

PDB CCD ID:

KGC

Number of entries in BioLiP:

Chemical formula:

C11 H18 N2 O6

InChI:

InChI=1S/C11H18N2O6/c12-7(9(15)16)3-1-2-6-13-11(10(17)18)5-4-8(14)19-11/h7,13H,1-6,12H2,(H,15,16)(H,17,18)/t7-,11+/m0/s1

InChIKey:

FASAFSZOFNKRIC-WRWORJQWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1CC(OC1=O)(C(=O)O)NCCCCC(C(=O)O)N
CACTVS 3.341	N[C@@H](CCCCN[C@@]1(CCC(=O)O1)C(O)=O)C(O)=O
ACDLabs 10.04	O=C(O)C1(OC(=O)CC1)NCCCCC(C(=O)O)N
CACTVS 3.341	N[CH](CCCCN[C]1(CCC(=O)O1)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0	C1C[C@@](OC1=O)(C(=O)O)NCCCC[C@@H](C(=O)O)N

Name:

N~6~-[(2R)-2-CARBOXY-5-OXOTETRAHYDROFURAN-2-YL]-L-LYSINE

ZINC:

ZINC000058649745

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).