BioLiP

PDB

BioLiP

PDB CCD ID:

LIL

Number of entries in BioLiP:

Chemical formula:

C28 H54 O4

InChI:

InChI=1S/C28H54O4/c1-3-5-7-9-11-13-15-17-19-21-23-26(25-27(29)30)32-28(31)24-22-20-18-16-14-12-10-8-6-4-2/h26H,3-25H2,1-2H3,(H,29,30)/t26-/m0/s1

InChIKey:

WLKQLKMXKFGMQI-SANMLTNESA-N

SMILES:

Software	SMILES
CACTVS 3.341	CCCCCCCCCCCC[C@@H](CC(O)=O)OC(=O)CCCCCCCCCCCC
ACDLabs 10.04	O=C(O)CC(OC(=O)CCCCCCCCCCCC)CCCCCCCCCCCC
CACTVS 3.341	CCCCCCCCCCCC[CH](CC(O)=O)OC(=O)CCCCCCCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCC[C@@H](CC(=O)O)OC(=O)CCCCCCCCCCCC

Name:

2-TRIDECANOYLOXY-PENTADECANOIC ACID

DrugBank:

DB01814

ZINC:

ZINC000014880077

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).