BioLiP

PDB

BioLiP

PDB CCD ID:

KHB

Number of entries in BioLiP:

Chemical formula:

C10 H20 N2 O4

InChI:

InChI=1S/C10H20N2O4/c1-7(13)6-9(14)12-5-3-2-4-8(11)10(15)16/h7-8,13H,2-6,11H2,1H3,(H,12,14)(H,15,16)/t7-,8-/m0/s1

InChIKey:

NFPICWYWQOLZEW-YUMQZZPRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C[C@@H](CC(=O)NCCCC[C@@H](C(=O)O)N)O
CACTVS 3.385	C[CH](O)CC(=O)NCCCC[CH](N)C(O)=O
OpenEye OEToolkits 2.0.6	CC(CC(=O)NCCCCC(C(=O)O)N)O
ACDLabs 12.01	NC(C(O)=O)CCCCNC(=O)CC(O)C
CACTVS 3.385	C[C@H](O)CC(=O)NCCCC[C@H](N)C(O)=O

Name:

N~6~-[(3S)-3-hydroxybutanoyl]-L-lysine

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).