BioLiP

PDB

BioLiP

PDB CCD ID:

ZEU

Number of entries in BioLiP:

Chemical formula:

C9 H18 O3

InChI:

InChI=1S/C9H18O3/c10-8-6-4-2-1-3-5-7-9(11)12/h10H,1-8H2,(H,11,12)

InChIKey:

AFZMICRBFKZNIH-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)CCCCCCCCO
OpenEye OEToolkits 1.7.6	C(CCCCO)CCCC(=O)O
CACTVS 3.370	OCCCCCCCCC(O)=O

Name:

9-hydroxynonanoic acid

ZINC:

ZINC000002569273

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).