BioLiP

PDB

BioLiP

PDB CCD ID:

FGJ

Number of entries in BioLiP:

Chemical formula:

C15 H28 O5

InChI:

InChI=1S/C15H28O5/c1-3-5-7-9-14(17)19-12-13(11-16)20-15(18)10-8-6-4-2/h13,16H,3-12H2,1-2H3/t13-/m1/s1

InChIKey:

DRUFTGMQJWWIOL-CYBMUJFWSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(CCCC)C(OCC(CO)OC(=O)CCCCC)=O
CACTVS 3.385	CCCCCC(=O)OC[CH](CO)OC(=O)CCCCC
OpenEye OEToolkits 2.0.6	CCCCCC(=O)OCC(CO)OC(=O)CCCCC
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCC

Name:

(2R)-3-hydroxypropane-1,2-diyl dihexanoate

ZINC:

ZINC000005820130

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).