BioLiP

PDB

BioLiP

PDB CCD ID:

4AK

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2 O5 S

InChI:

InChI=1S/C6H14N2O5S/c7-5(6(9)10)3-1-2-4-8-14(11,12)13/h5,8H,1-4,7H2,(H,9,10)(H,11,12,13)/t5-/m0/s1

InChIKey:

DROHJWVHGIXSPP-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](CCCCN[S](O)(=O)=O)C(O)=O
ACDLabs 12.01	O=S(=O)(O)NCCCCC(C(=O)O)N
OpenEye OEToolkits 1.9.2	C(CCNS(=O)(=O)O)C[C@@H](C(=O)O)N
CACTVS 3.385	N[C@@H](CCCCN[S](O)(=O)=O)C(O)=O
OpenEye OEToolkits 1.9.2	C(CCNS(=O)(=O)O)CC(C(=O)O)N

Name:

N~6~-sulfo-L-lysine

ZINC:

ZINC000034117198

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).