BioLiP

PDB

BioLiP

PDB CCD ID:

A1LYN

Number of entries in BioLiP:

Chemical formula:

C10 H22 O3

InChI:

InChI=1S/C10H22O3/c11-8-6-4-2-1-3-5-7-10(13)9-12/h10-13H,1-9H2/t10-/m0/s1

InChIKey:

RHINSRUDDXGHLV-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCCCCCCCC[CH](O)CO
OpenEye OEToolkits 2.0.7	C(CCCCO)CCCC(CO)O
OpenEye OEToolkits 2.0.7	C(CCCCO)CCC[C@@H](CO)O
CACTVS 3.385	OCCCCCCCC[C@H](O)CO

Name:

(2S)-decane-1,2,10-triol

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).