BioLiP

PDB

BioLiP

PDB CCD ID:

ZM5

Number of entries in BioLiP:

Chemical formula:

C32 H62 O5

InChI:

InChI=1S/C32H62O5/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-31(34)36-29-30(28-33)37-32(35)27-25-23-21-18-14-12-10-8-6-4-2/h30,33H,3-29H2,1-2H3/t30-/m1/s1

InChIKey:

ZMBQEERVAJRJTB-SSEXGKCCSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCC
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCC
CACTVS 3.385	CCCCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCCCC

Name:

(2R)-2-(tridecanoyloxy)propyl hexadecanoate;
(3-oxidanyl-2-tridecanoyloxy-propyl) hexadecanoate

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).