BioLiP

PDB

BioLiP

PDB CCD ID:

7NR

Number of entries in BioLiP:

Chemical formula:

C18 H36 O3

InChI:

InChI=1S/C18H36O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m0/s1

InChIKey:

RKHXDCVAPIMDMG-KRWDZBQOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCCC[C@H](O)CCCCCCCC(O)=O
OpenEye OEToolkits 2.0.7	CCCCCCCCCC(CCCCCCCC(=O)O)O
OpenEye OEToolkits 2.0.7	CCCCCCCCC[C@@H](CCCCCCCC(=O)O)O
CACTVS 3.385	CCCCCCCCC[CH](O)CCCCCCCC(O)=O

Name:

9-Hydroxyoctadecanoic acid;
9-Hydroxystearic acid

ChEMBL:

CHEMBL4765024

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).