BioLiP

PDB

BioLiP

PDB CCD ID:

LNG

Number of entries in BioLiP:

Chemical formula:

C14 H26 O2

InChI:

InChI=1S/C14H26O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h8,10,13H,3-7,9,11-12H2,1-2H3,(H,15,16)/b10-8-

InChIKey:

CPJZLQGGCFWOAA-NTMALXAHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC(C)CCCCCCCC=CCC(=O)O
CACTVS 3.352	CC(C)CCCCCCCC=CCC(O)=O
ACDLabs 11.02	O=C(O)C\C=C/CCCCCCCC(C)C
OpenEye OEToolkits 1.7.0	CC(C)CCCCCCC/C=C\CC(=O)O
CACTVS 3.352	CC(C)CCCCCCC\C=C/CC(O)=O

Name:

Delta-3isotetradecenoic acid

ZINC:

ZINC000098209123

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).