BioLiP

PDB

BioLiP

PDB CCD ID:

5OL

Number of entries in BioLiP:

Chemical formula:

C8 H18 N2 O4

InChI:

InChI=1S/C8H18N2O4/c1-8(13,14)10-5-3-2-4-6(9)7(11)12/h6,10,13-14H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1

InChIKey:

VPMDIAZXPVLBIV-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	CC(NCCCCC(C(=O)O)N)(O)O
CACTVS 3.385	CC(O)(O)NCCCC[CH](N)C(O)=O
OpenEye OEToolkits 2.0.4	CC(NCCCC[C@@H](C(=O)O)N)(O)O
CACTVS 3.385	CC(O)(O)NCCCC[C@H](N)C(O)=O
ACDLabs 12.01	C(CCCCNC(C)(O)O)(C(=O)O)N

Name:

N~6~-(1,1-dihydroxyethyl)-L-lysine

ZINC:

ZINC000584904961

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).