BioLiP

PDB

BioLiP

PDB CCD ID:

T80

Number of entries in BioLiP:

Chemical formula:

C29 H58 O7

InChI:

InChI=1S/C29H58O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(30)36-28-27-35-26-25-34-24-23-33-22-21-32-20-19-31-2/h3-28H2,1-2H3

InChIKey:

AKUODCGCIHXMIY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(OCCOCCOCCOCCOCCOC)CCCCCCCCCCCCCCCCC
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC

Name:

METHYLPENTA(OXYETHYL) HEPTADECANOATE

ZINC:

ZINC000015657542

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).