BioLiP

PDB

BioLiP

PDB CCD ID:

LA2

Number of entries in BioLiP:

Chemical formula:

C14 H28 N2 O3 S2

InChI:

InChI=1S/C14H28N2O3S2/c15-12(14(18)19)6-3-4-9-16-13(17)7-2-1-5-11(21)8-10-20/h11-12,20-21H,1-10,15H2,(H,16,17)(H,18,19)/t11-,12+/m1/s1

InChIKey:

AYZPHCCEYJWVJC-NEPJUHHUSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[C@@H](CCCCNC(=O)CCCC[C@@H](S)CCS)C(O)=O
OpenEye OEToolkits 1.5.0	C(CCC(=O)NCCCC[C@@H](C(=O)O)N)C[C@H](CCS)S
CACTVS 3.341	N[CH](CCCCNC(=O)CCCC[CH](S)CCS)C(O)=O
OpenEye OEToolkits 1.5.0	C(CCC(=O)NCCCCC(C(=O)O)N)CC(CCS)S
ACDLabs 10.04	O=C(O)C(N)CCCCNC(=O)CCCCC(S)CCS

Name:

N~6~-[(6R)-6,8-disulfanyloctanoyl]-L-lysine;
lipoyllysine

ZINC:

ZINC000058649436

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).