BioLiP

PDB

BioLiP

PDB CCD ID:

MG8

Number of entries in BioLiP:

Chemical formula:

C15 H31 N O6

InChI:

InChI=1S/C15H31NO6/c1-3-4-5-6-7-8-13(20)16(2)9-11(18)14(21)15(22)12(19)10-17/h11-12,14-15,17-19,21-22H,3-10H2,1-2H3

InChIKey:

SBWGZAXBCCNRTM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCCC(=O)N(C)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O
CACTVS 3.341	CCCCCCCC(=O)N(C)CC(O)C(O)C(O)C(O)CO
ACDLabs 10.04	O=C(N(C)CC(O)C(O)C(O)C(O)CO)CCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCC(=O)N(C)CC(C(C(C(CO)O)O)O)O

Name:

N-OCTANOYL-N-METHYLGLUCAMINE;
MEGA 8;
N-(D-GLUCITYL)-N-METHYLOCTANAMIDE

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).