BioLiP

PDB

BioLiP

PDB CCD ID:

IG8

Number of entries in BioLiP:

Chemical formula:

C10 H20 O3

InChI:

InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m1/s1

InChIKey:

FYSSBMZUBSBFJL-SECBINFHSA-N

SMILES:

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

Name:

(3~{R})-3-oxidanyldecanoic 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).