BioLiP

PDB

BioLiP

PDB CCD ID:

OHA

Number of entries in BioLiP:

Chemical formula:

C16 H30 O3

InChI:

InChI=1S/C16H30O3/c1-2-3-4-9-12-15(17)13-10-7-5-6-8-11-14-16(18)19/h2-14H2,1H3,(H,18,19)

InChIKey:

VBFPQNKLKQDSCH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCC(=O)CCCCCCCCC(=O)O
ACDLabs 10.04	O=C(CCCCCC)CCCCCCCCC(=O)O
CACTVS 3.341	CCCCCCC(=O)CCCCCCCCC(O)=O

Name:

10-oxohexadecanoic 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).