BioLiP

PDB

BioLiP

PDB CCD ID:

BFC

Number of entries in BioLiP:

Chemical formula:

C14 H28 O2

InChI:

InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h13-14,16H,2-12H2,1H3/t14-/m1/s1

InChIKey:

PCOHAOZBEIUVSX-CQSZACIVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCC(CC=O)O
OpenEye OEToolkits 1.5.0	CCCCCCCCCCC[C@H](CC=O)O
ACDLabs 10.04	O=CCC(O)CCCCCCCCCCC
CACTVS 3.341	CCCCCCCCCCC[CH](O)CC=O
CACTVS 3.341	CCCCCCCCCCC[C@@H](O)CC=O

Name:

(R)-3-HYDROXYTETRADECANAL

ZINC:

ZINC000058631448

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).