BioLiP

PDB

BioLiP

PDB CCD ID:

B9M

Number of entries in BioLiP:

Chemical formula:

C16 H28 O

InChI:

InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h6-7,17H,2-3,8-16H2,1H3/b7-6+

InChIKey:

CVGZIQCJXLSQQU-VOTSOKGWSA-N

SMILES:

Software	SMILES
CACTVS 3.352 OpenEye OEToolkits 1.6.1	CCCC#CC=CCCCCCCCCCO
CACTVS 3.352 OpenEye OEToolkits 1.6.1	CCCC#C\C=C\CCCCCCCCCO
ACDLabs 10.04	C(#C\C=C\CCCCCCCCCO)CCC

Name:

(10E)-hexadec-10-en-12-yn-1-ol

ZINC:

ZINC000058649629

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).