BioLiP

PDB

BioLiP

PDB CCD ID:

0IL

Number of entries in BioLiP:

Chemical formula:

C28 H54 O4

InChI:

InChI=1S/C28H54O4/c1-3-5-7-9-11-13-14-16-18-20-22-24-28(31)32-26(25-27(29)30)23-21-19-17-15-12-10-8-6-4-2/h26H,3-25H2,1-2H3,(H,29,30)/t26-/m1/s1

InChIKey:

IYESSKQVAKTOQB-AREMUKBSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O
CACTVS 3.370	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(O)=O
OpenEye OEToolkits 1.7.6	CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O
CACTVS 3.370	CCCCCCCCCCCCCC(=O)O[CH](CCCCCCCCCCC)CC(O)=O
ACDLabs 12.01	O=C(O)CC(OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCC

Name:

(3R)-3-(tetradecanoyloxy)tetradecanoic acid

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).